PDB Chemical Component NCM

Ideal Model

Chemical Description

Name NORCAMPHOR
Formula C7 H10 O
Formal charge 0
Molecular weight 110.154 g/mol
Component type NON-POLYMER

Chemical features

Atom count 18
Chiral atom count 2
Chiral atoms C1 C4
Bond count 19
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) (1R,4S)-bicyclo[2.2.1]heptan-2-one
Systematic name (OpenEye OEToolkits) (1R,4S)-bicyclo[2.2.1]heptan-6-one

Chemical Descriptors

Stereo SMILES (CACTVS) O=C1C[C@H]2CC[C@@H]1C2
SMILES (CACTVS) O=C1C[CH]2CC[CH]1C2
Stereo SMILES (OpenEye) C1C[C@@H]2C[C@H]1CC2=O
InChI descriptor InChI=1/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2/t5-,6+/m0/s1
InChIKey descriptor KPMKEVXVVHNIEY-NTSWFWBYBL

Status Information

Last modified 2008-10-14
Created 1999-07-08
Release status REL
Model PDB code 7CPP
Processing site RCSB