1-(cyclopentylmethyl)-3-methylpyridin-2-one

C12H17NO — CID 115746868

IUPAC1-(cyclopentylmethyl)-3-methylpyridin-2-one
SMILESCc1cccn(CC2CCCC2)c1=O
InChIInChI=1S/C12H17NO/c1-10-5-4-8-13(12(10)14)9-11-6-2-3-7-11/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyWIJAHCARNUPJEO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.35
Rot. Bonds2

About 1-(cyclopentylmethyl)-3-methylpyridin-2-one

1-(cyclopentylmethyl)-3-methylpyridin-2-one (PubChem CID 115746868) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-methylpyridin-2-one
PubChem CID115746868
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(cyclopentylmethyl)-3-methylpyridin-2-one
SMILESCc1cccn(CC2CCCC2)c1=O
InChIInChI=1S/C12H17NO/c1-10-5-4-8-13(12(10)14)9-11-6-2-3-7-11/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyWIJAHCARNUPJEO-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-methylpyridin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-3-methylpyridin-2-one (CID 115746868) is 1-(cyclopentylmethyl)-3-methylpyridin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-methylpyridin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-3-methylpyridin-2-one is Cc1cccn(CC2CCCC2)c1=O.
What is the InChIKey of 1-(cyclopentylmethyl)-3-methylpyridin-2-one?
The InChIKey is WIJAHCARNUPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-5-4-8-13(12(10)14)9-11-6-2-3-7-11/h4-5,8,11H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-3-methylpyridin-2-one?
1-(cyclopentylmethyl)-3-methylpyridin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-methylpyridin-2-one is sourced from PubChem (CID 115746868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).