4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one

C12H12BrNO — CID 176652144

IUPAC4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one
SMILESCC1(C)NC(=O)C=C1c1ccc(Br)cc1
InChIInChI=1S/C12H12BrNO/c1-12(2)10(7-11(15)14-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,15)
InChIKeyKOFLOLMRCTVIRF-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.74
Rot. Bonds1

About 4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one

4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one (PubChem CID 176652144) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one
PubChem CID176652144
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one
SMILESCC1(C)NC(=O)C=C1c1ccc(Br)cc1
InChIInChI=1S/C12H12BrNO/c1-12(2)10(7-11(15)14-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,15)
InChIKeyKOFLOLMRCTVIRF-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-bromophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19843468
(5Z)-4-(4-bromophenyl)-5-(propylsulfanylmethylidene)pyrrol-2-one
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4-(4'-bromophenyl)-5-methylene-2(5H)pyrolone
CID 24782361
4-(4-bromophenyl)-2,5-dihydro-1H-pyrrol-2-one
CID 24826042
N-[1-(4-Bromophenyl)propyl]acetamide
CID 603612
N-[1-(4-bromophenyl)ethyl]propanamide
CID 2854151
N-[1-(4-bromophenyl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one?
The IUPAC name of 4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one (CID 176652144) is 4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one?
The canonical SMILES for 4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one is CC1(C)NC(=O)C=C1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one?
The InChIKey is KOFLOLMRCTVIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-12(2)10(7-11(15)14-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,15).
What are the key properties of 4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one?
4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one has a molecular weight of 266.14 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5,5-dimethyl-1H-pyrrol-2-one is sourced from PubChem (CID 176652144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).