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

C10H10BrNO — CID 736110

IUPAC1-(4-bromophenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChIKeyYINFEFUSAQRZGG-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.58
Rot. Bonds1

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

1-(4-bromophenyl)pyrrolidin-2-one (PubChem CID 736110) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)pyrrolidin-2-one
PubChem CID736110
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name1-(4-bromophenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChIKeyYINFEFUSAQRZGG-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-bromophenyl)pyrrolidin-2-one (CID 736110) is 1-(4-bromophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromophenyl)pyrrolidin-2-one is O=C1CCCN1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)pyrrolidin-2-one?
The InChIKey is YINFEFUSAQRZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7H2.
What are the key properties of 1-(4-bromophenyl)pyrrolidin-2-one?
1-(4-bromophenyl)pyrrolidin-2-one has a molecular weight of 240.10 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 736110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).