1-(3-methylcyclopentyl)pyrrolidin-3-one

C10H17NO — CID 114546729

IUPAC1-(3-methylcyclopentyl)pyrrolidin-3-one
SMILESCC1CCC(N2CCC(=O)C2)C1
InChIInChI=1S/C10H17NO/c1-8-2-3-9(6-8)11-5-4-10(12)7-11/h8-9H,2-7H2,1H3
InChIKeyKAXUWJJUSFBZNW-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds1

About 1-(3-methylcyclopentyl)pyrrolidin-3-one

1-(3-methylcyclopentyl)pyrrolidin-3-one (PubChem CID 114546729) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)pyrrolidin-3-one
PubChem CID114546729
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(3-methylcyclopentyl)pyrrolidin-3-one
SMILESCC1CCC(N2CCC(=O)C2)C1
InChIInChI=1S/C10H17NO/c1-8-2-3-9(6-8)11-5-4-10(12)7-11/h8-9H,2-7H2,1H3
InChIKeyKAXUWJJUSFBZNW-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)pyrrolidin-3-one?
The IUPAC name of 1-(3-methylcyclopentyl)pyrrolidin-3-one (CID 114546729) is 1-(3-methylcyclopentyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(3-methylcyclopentyl)pyrrolidin-3-one?
The canonical SMILES for 1-(3-methylcyclopentyl)pyrrolidin-3-one is CC1CCC(N2CCC(=O)C2)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)pyrrolidin-3-one?
The InChIKey is KAXUWJJUSFBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-2-3-9(6-8)11-5-4-10(12)7-11/h8-9H,2-7H2,1H3.
What are the key properties of 1-(3-methylcyclopentyl)pyrrolidin-3-one?
1-(3-methylcyclopentyl)pyrrolidin-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)pyrrolidin-3-one is sourced from PubChem (CID 114546729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).