1-(4-bromo-3-methylphenyl)pyrrolidin-2-one

C11H12BrNO — CID 11218998

IUPAC1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CCCC2=O)ccc1Br
InChIInChI=1S/C11H12BrNO/c1-8-7-9(4-5-10(8)12)13-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyUHABBHGGYQEDDZ-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.88
Rot. Bonds1

About 1-(4-bromo-3-methylphenyl)pyrrolidin-2-one

1-(4-bromo-3-methylphenyl)pyrrolidin-2-one (PubChem CID 11218998) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
PubChem CID11218998
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CCCC2=O)ccc1Br
InChIInChI=1S/C11H12BrNO/c1-8-7-9(4-5-10(8)12)13-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyUHABBHGGYQEDDZ-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-3-methylphenyl)pyrrolidin-2-one (CID 11218998) is 1-(4-bromo-3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)pyrrolidin-2-one is Cc1cc(N2CCCC2=O)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)pyrrolidin-2-one?
The InChIKey is UHABBHGGYQEDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-8-7-9(4-5-10(8)12)13-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)pyrrolidin-2-one?
1-(4-bromo-3-methylphenyl)pyrrolidin-2-one has a molecular weight of 254.13 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 11218998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).