1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one

C12H12BrNO — CID 56964850

IUPAC1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one
SMILESO=C1CCCN1/C=C\c1ccccc1Br
InChIInChI=1S/C12H12BrNO/c13-11-5-2-1-4-10(11)7-9-14-8-3-6-12(14)15/h1-2,4-5,7,9H,3,6,8H2/b9-7-
InChIKeyHDCRDZNHCKZFGM-CLFYSBASSA-N
MW266.14 g/mol
LogP3.04
Rot. Bonds2

About 1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one

1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one (PubChem CID 56964850) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one
PubChem CID56964850
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one
SMILESO=C1CCCN1/C=C\c1ccccc1Br
InChIInChI=1S/C12H12BrNO/c13-11-5-2-1-4-10(11)7-9-14-8-3-6-12(14)15/h1-2,4-5,7,9H,3,6,8H2/b9-7-
InChIKeyHDCRDZNHCKZFGM-CLFYSBASSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-2-(2-methoxyphenyl)ethenyl]pyrrolidin-2-one
CID 102415035
1-[4-[(E)-3-(2-bromophenyl)prop-2-enoyl]phenyl]pyrrolidin-2-one
CID 8646864
1-[(E)-2-(2-bromophenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108904928
(E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one
CID 24678434
1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one
CID 150381870
1-[(Z)-2-iodoethenyl]pyrrolidin-2-one
CID 124586002
1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
CID 102308122
1-[(E)-3-oxobut-1-enyl]pyrrolidin-2-one
CID 131233341
1-penta-1,3-dienylpyrrolidin-2-one
CID 170549947
1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one
CID 86071563
1-buta-1,3-dienylpyrrolidin-2-one;thiophene
CID 175032170
chloro(triphenyl)stannane;1-ethenylpyrrolidin-2-one
CID 86740183

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one?
The IUPAC name of 1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one (CID 56964850) is 1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one is O=C1CCCN1/C=C\c1ccccc1Br.
What is the InChIKey of 1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one?
The InChIKey is HDCRDZNHCKZFGM-CLFYSBASSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-11-5-2-1-4-10(11)7-9-14-8-3-6-12(14)15/h1-2,4-5,7,9H,3,6,8H2/b9-7-.
What are the key properties of 1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one?
1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one has a molecular weight of 266.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 56964850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).