5-(4-bromophenyl)pyrrolidin-2-one

C10H10BrNO — CID 12056595

IUPAC5-(4-bromophenyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(Br)cc2)N1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyPFJCJXIUAVSTJB-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.40
Rot. Bonds1

About 5-(4-bromophenyl)pyrrolidin-2-one

5-(4-bromophenyl)pyrrolidin-2-one (PubChem CID 12056595) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 5-(4-bromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-bromophenyl)pyrrolidin-2-one
PubChem CID12056595
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name5-(4-bromophenyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(Br)cc2)N1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyPFJCJXIUAVSTJB-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)pyrrolidin-2-one?
The IUPAC name of 5-(4-bromophenyl)pyrrolidin-2-one (CID 12056595) is 5-(4-bromophenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-bromophenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-bromophenyl)pyrrolidin-2-one is O=C1CCC(c2ccc(Br)cc2)N1.
What is the InChIKey of 5-(4-bromophenyl)pyrrolidin-2-one?
The InChIKey is PFJCJXIUAVSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13).
What are the key properties of 5-(4-bromophenyl)pyrrolidin-2-one?
5-(4-bromophenyl)pyrrolidin-2-one has a molecular weight of 240.10 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 12056595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).