1-(4-methylphenyl)pyrrolidin-2-one

C11H13NO — CID 577781

IUPAC1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C11H13NO/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChIKeyORPHOKOVVUFNKE-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.12
Rot. Bonds1

About 1-(4-methylphenyl)pyrrolidin-2-one

1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 577781) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID577781
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C11H13NO/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChIKeyORPHOKOVVUFNKE-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)pyrrolidin-2-one (CID 577781) is 1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is ORPHOKOVVUFNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-(4-methylphenyl)pyrrolidin-2-one?
1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 577781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).