3-(4-bromophenyl)-1,2-dihydropyrrol-5-one

C10H8BrNO — CID 24826042

IUPAC3-(4-bromophenyl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(c2ccc(Br)cc2)CN1
InChIInChI=1S/C10H8BrNO/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-5H,6H2,(H,12,13)
InChIKeyBVBVWIADDJOSKH-UHFFFAOYSA-N
MW238.08 g/mol
LogP1.96
Rot. Bonds1

About 3-(4-bromophenyl)-1,2-dihydropyrrol-5-one

3-(4-bromophenyl)-1,2-dihydropyrrol-5-one (PubChem CID 24826042) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1,2-dihydropyrrol-5-one
PubChem CID24826042
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name3-(4-bromophenyl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(c2ccc(Br)cc2)CN1
InChIInChI=1S/C10H8BrNO/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-5H,6H2,(H,12,13)
InChIKeyBVBVWIADDJOSKH-UHFFFAOYSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2824953
3-methyl-N-(2-phenylethyl)-2-butenamide
CID 731815
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
(E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide
CID 2677304
3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11233491
Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
4-phenyl-2,5-dihydro-1H-pyrrol-2-one
CID 19391019
2-Bromo-N-(2-phenylethyl)acetamide
CID 9881279
N-[(1R)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800130
3-(4-bromophenyl)-N-cycloheptylacrylamide
CID 844356

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(4-bromophenyl)-1,2-dihydropyrrol-5-one (CID 24826042) is 3-(4-bromophenyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(4-bromophenyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(4-bromophenyl)-1,2-dihydropyrrol-5-one is O=C1C=C(c2ccc(Br)cc2)CN1.
What is the InChIKey of 3-(4-bromophenyl)-1,2-dihydropyrrol-5-one?
The InChIKey is BVBVWIADDJOSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-5H,6H2,(H,12,13).
What are the key properties of 3-(4-bromophenyl)-1,2-dihydropyrrol-5-one?
3-(4-bromophenyl)-1,2-dihydropyrrol-5-one has a molecular weight of 238.08 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 24826042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).