1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one

C11H17NO — CID 54531759

IUPAC1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one
SMILESCC1CCC=C(N2CCCC2=O)C1
InChIInChI=1S/C11H17NO/c1-9-4-2-5-10(8-9)12-7-3-6-11(12)13/h5,9H,2-4,6-8H2,1H3
InChIKeyYXAWVZIRZKEYOQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.31
Rot. Bonds1

About 1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one

1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one (PubChem CID 54531759) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one
PubChem CID54531759
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one
SMILESCC1CCC=C(N2CCCC2=O)C1
InChIInChI=1S/C11H17NO/c1-9-4-2-5-10(8-9)12-7-3-6-11(12)13/h5,9H,2-4,6-8H2,1H3
InChIKeyYXAWVZIRZKEYOQ-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one (CID 54531759) is 1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one is CC1CCC=C(N2CCCC2=O)C1.
What is the InChIKey of 1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one?
The InChIKey is YXAWVZIRZKEYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-4-2-5-10(8-9)12-7-3-6-11(12)13/h5,9H,2-4,6-8H2,1H3.
What are the key properties of 1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one?
1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylcyclohexen-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 54531759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).