1-[(2-bromophenyl)methyl]pyrrolidin-2-one

C11H12BrNO — CID 58768265

IUPAC1-[(2-bromophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccccc1Br
InChIInChI=1S/C11H12BrNO/c12-10-5-2-1-4-9(10)8-13-7-3-6-11(13)14/h1-2,4-5H,3,6-8H2
InChIKeyKNWGNWQUXHKCFZ-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.57
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]pyrrolidin-2-one

1-[(2-bromophenyl)methyl]pyrrolidin-2-one (PubChem CID 58768265) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]pyrrolidin-2-one
PubChem CID58768265
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name1-[(2-bromophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccccc1Br
InChIInChI=1S/C11H12BrNO/c12-10-5-2-1-4-9(10)8-13-7-3-6-11(13)14/h1-2,4-5H,3,6-8H2
InChIKeyKNWGNWQUXHKCFZ-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-bromophenyl)methyl]pyrrolidin-2-one (CID 58768265) is 1-[(2-bromophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-bromophenyl)methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]pyrrolidin-2-one?
The InChIKey is KNWGNWQUXHKCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-5-2-1-4-9(10)8-13-7-3-6-11(13)14/h1-2,4-5H,3,6-8H2.
What are the key properties of 1-[(2-bromophenyl)methyl]pyrrolidin-2-one?
1-[(2-bromophenyl)methyl]pyrrolidin-2-one has a molecular weight of 254.13 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 58768265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).