9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one

C14H23NO — CID 114541275

IUPAC9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CCC(N2C3CCCC2CC(=O)C3)C1
InChIInChI=1S/C14H23NO/c1-10-5-6-13(7-10)15-11-3-2-4-12(15)9-14(16)8-11/h10-13H,2-9H2,1H3
InChIKeyYSWMCKCZVOMTAL-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.76
Rot. Bonds1

About 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 114541275) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID114541275
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CCC(N2C3CCCC2CC(=O)C3)C1
InChIInChI=1S/C14H23NO/c1-10-5-6-13(7-10)15-11-3-2-4-12(15)9-14(16)8-11/h10-13H,2-9H2,1H3
InChIKeyYSWMCKCZVOMTAL-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 64743890
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114541288
9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-one
CID 62713753
(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one
CID 144657404
8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739795
9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 64921492
9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64734277
8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740847
9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one
CID 80715836
1-(3-methylcyclopentyl)pyrrolidin-3-one
CID 114546729
8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740147
ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one
CID 159223821

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 114541275) is 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one is CC1CCC(N2C3CCCC2CC(=O)C3)C1.
What is the InChIKey of 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is YSWMCKCZVOMTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-5-6-13(7-10)15-11-3-2-4-12(15)9-14(16)8-11/h10-13H,2-9H2,1H3.
What are the key properties of 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 221.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 114541275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).