1-[(1-methylcyclopentyl)methyl]pyridin-2-one

C12H17NO — CID 130578511

IUPAC1-[(1-methylcyclopentyl)methyl]pyridin-2-one
SMILESCC1(Cn2ccccc2=O)CCCC1
InChIInChI=1S/C12H17NO/c1-12(7-3-4-8-12)10-13-9-5-2-6-11(13)14/h2,5-6,9H,3-4,7-8,10H2,1H3
InChIKeyLOGAXMZQDXYUDM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.43
Rot. Bonds2

About 1-[(1-methylcyclopentyl)methyl]pyridin-2-one

1-[(1-methylcyclopentyl)methyl]pyridin-2-one (PubChem CID 130578511) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)methyl]pyridin-2-one
PubChem CID130578511
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[(1-methylcyclopentyl)methyl]pyridin-2-one
SMILESCC1(Cn2ccccc2=O)CCCC1
InChIInChI=1S/C12H17NO/c1-12(7-3-4-8-12)10-13-9-5-2-6-11(13)14/h2,5-6,9H,3-4,7-8,10H2,1H3
InChIKeyLOGAXMZQDXYUDM-UHFFFAOYSA-N
XLogP2.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopentyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(1-methylcyclopentyl)methyl]pyridin-2-one (CID 130578511) is 1-[(1-methylcyclopentyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(1-methylcyclopentyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(1-methylcyclopentyl)methyl]pyridin-2-one is CC1(Cn2ccccc2=O)CCCC1.
What is the InChIKey of 1-[(1-methylcyclopentyl)methyl]pyridin-2-one?
The InChIKey is LOGAXMZQDXYUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(7-3-4-8-12)10-13-9-5-2-6-11(13)14/h2,5-6,9H,3-4,7-8,10H2,1H3.
What are the key properties of 1-[(1-methylcyclopentyl)methyl]pyridin-2-one?
1-[(1-methylcyclopentyl)methyl]pyridin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopentyl)methyl]pyridin-2-one is sourced from PubChem (CID 130578511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).