(5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one

C11H8BrNO — CID 155529815

IUPAC(5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one
SMILESO=C1C=C(c2ccccc2)/C(=C/Br)N1
InChIInChI=1S/C11H8BrNO/c12-7-10-9(6-11(14)13-10)8-4-2-1-3-5-8/h1-7H,(H,13,14)/b10-7-
InChIKeyNLOHXDKGPNOLTA-YFHOEESVSA-N
MW250.10 g/mol
LogP2.44
Rot. Bonds1

About (5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one

(5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one (PubChem CID 155529815) has the molecular formula C11H8BrNO and a molecular weight of 250.10 g/mol. Its IUPAC name is (5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one.

Molecular Properties

Compound Name(5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one
PubChem CID155529815
Molecular FormulaC11H8BrNO
Molecular Weight250.10 g/mol
Exact Mass248.98
IUPAC Name(5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one
SMILESO=C1C=C(c2ccccc2)/C(=C/Br)N1
InChIInChI=1S/C11H8BrNO/c12-7-10-9(6-11(14)13-10)8-4-2-1-3-5-8/h1-7H,(H,13,14)/b10-7-
InChIKeyNLOHXDKGPNOLTA-YFHOEESVSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-
CID 248803
N-(2-methyl-1-phenylprop-1-enyl)acetamide
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CID 11412668
N-[(Z)-1-phenylbut-1-enyl]acetamide
CID 12173506
5-Methylidene-4-phenylpyrrol-2-one
CID 16663238
4-(4'-bromophenyl)-5-methylene-2(5H)pyrolone
CID 24782361
4-(4-Fluorophenyl)-5-methylidenepyrrol-2-one
CID 24782362
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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one?
The IUPAC name of (5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one (CID 155529815) is (5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one.
What is the SMILES notation for (5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one?
The canonical SMILES for (5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one is O=C1C=C(c2ccccc2)/C(=C/Br)N1.
What is the InChIKey of (5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one?
The InChIKey is NLOHXDKGPNOLTA-YFHOEESVSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-7-10-9(6-11(14)13-10)8-4-2-1-3-5-8/h1-7H,(H,13,14)/b10-7-.
What are the key properties of (5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one?
(5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one has a molecular weight of 250.10 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one is sourced from PubChem (CID 155529815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).