(4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one

C9H15NO — CID 11789412

IUPAC(4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
SMILESCN1CCC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C9H15NO/c1-10-6-5-9(11)7-3-2-4-8(7)10/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyYGEYYJFGMWCUNV-SFYZADRCSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds

About (4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one

(4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one (PubChem CID 11789412) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name(4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
PubChem CID11789412
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
SMILESCN1CCC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C9H15NO/c1-10-6-5-9(11)7-3-2-4-8(7)10/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyYGEYYJFGMWCUNV-SFYZADRCSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one with MolForge

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Related Compounds

(4aR,8aR)-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 1381987
(4aR,7aS)-1-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b]pyridin-4-one
CID 101042261
(4aR,7aS)-1-(2-methylbut-3-yn-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CID 1381986
2-[1-(2-methoxyethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553024
2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79549641
2-(1-ethylpyrrolidin-2-yl)cyclopentan-1-one
CID 79543714
3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione
CID 11126925
2-(1-propan-2-ylpyrrolidin-2-yl)cyclopentan-1-one
CID 79544025
2-cyclohexyl-1-methylpyrrolidin-3-one
CID 83828404
2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543796
(4aR,7aR)-1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CID 7200726
2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543645

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
The IUPAC name of (4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one (CID 11789412) is (4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one.
What is the SMILES notation for (4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
The canonical SMILES for (4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one is CN1CCC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
The InChIKey is YGEYYJFGMWCUNV-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-6-5-9(11)7-3-2-4-8(7)10/h7-8H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
(4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one has a molecular weight of 153.22 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one is sourced from PubChem (CID 11789412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).