2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

C10H17NO — CID 18682710

IUPAC2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
SMILESCC1CCC2CN(C)C(=O)CC12
InChIInChI=1S/C10H17NO/c1-7-3-4-8-6-11(2)10(12)5-9(7)8/h7-9H,3-6H2,1-2H3
InChIKeyRWMLAWRVRJVXJO-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.51
Rot. Bonds

About 2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one (PubChem CID 18682710) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
PubChem CID18682710
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
SMILESCC1CCC2CN(C)C(=O)CC12
InChIInChI=1S/C10H17NO/c1-7-3-4-8-6-11(2)10(12)5-9(7)8/h7-9H,3-6H2,1-2H3
InChIKeyRWMLAWRVRJVXJO-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,4aR,7R,7aR)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one
CID 10678976
(4R,4aS,7R,7aS)-Octahydro-2,4,7-trimethyl-6H-cyclopenta[c]pyridin-6-one
CID 10773755
(4S,4aR,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one
CID 101412085
(4R,4aS,7R,7aR)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one
CID 162938007
3-Cyclopentyl-1-(piperidin-1-yl)propan-1-one
CID 4518855
3-Cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 896472
(4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one
CID 10976111
5-Cyclopentyl-1-methylpiperidin-2-one
CID 165415861
1-[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-cyclopentylethanone
CID 155901279
Dihydrotecomanine
CID 541693
(4S,4aS,7S,7aR)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one
CID 10943085
(4s,4Ar,7s,7ar)-2-n-pentyl-4,7-dimethyloctahydro-1h-cyclopenta[c]pyridin-1-one
CID 11536020

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
The IUPAC name of 2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one (CID 18682710) is 2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one.
What is the SMILES notation for 2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
The canonical SMILES for 2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one is CC1CCC2CN(C)C(=O)CC12.
What is the InChIKey of 2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
The InChIKey is RWMLAWRVRJVXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-3-4-8-6-11(2)10(12)5-9(7)8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one is sourced from PubChem (CID 18682710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).