(4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one

C11H19NO — CID 10773755

IUPAC(4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one
SMILESC[C@H]1CN(C)C[C@H]2[C@H]1CC(=O)[C@@H]2C
InChIInChI=1S/C11H19NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-10H,4-6H2,1-3H3/t7-,8+,9-,10+/m0/s1
InChIKeyQLZHMPAVGNWQMF-QCLAVDOMSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds

About (4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one

(4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one (PubChem CID 10773755) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one.

Molecular Properties

Compound Name(4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one
PubChem CID10773755
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one
SMILESC[C@H]1CN(C)C[C@H]2[C@H]1CC(=O)[C@@H]2C
InChIInChI=1S/C11H19NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-10H,4-6H2,1-3H3/t7-,8+,9-,10+/m0/s1
InChIKeyQLZHMPAVGNWQMF-QCLAVDOMSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one with MolForge

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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)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one
CID 10820982
(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)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one
CID 162851424
(4R,4aS,7R,7aR)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one
CID 162938007
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
(4S,4aR,7S,7aR)-2,4,7-trimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridin-1-one
CID 11586396
2,5-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 18682710
1-Cyclopentyl-5-piperidin-1-ylpentan-1-one
CID 18790304
2-Methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one
CID 23561283

Frequently Asked Questions

What is the IUPAC name of (4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one?
The IUPAC name of (4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one (CID 10773755) is (4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one.
What is the SMILES notation for (4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one?
The canonical SMILES for (4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one is C[C@H]1CN(C)C[C@H]2[C@H]1CC(=O)[C@@H]2C.
What is the InChIKey of (4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one?
The InChIKey is QLZHMPAVGNWQMF-QCLAVDOMSA-N. The full InChI is InChI=1S/C11H19NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-10H,4-6H2,1-3H3/t7-,8+,9-,10+/m0/s1.
What are the key properties of (4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one?
(4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one has a molecular weight of 181.28 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS,7R,7aS)-2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one is sourced from PubChem (CID 10773755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).