5-phenyl-1H-pyrrole-2,3-dione

C10H7NO2 — CID 13165116

IUPAC5-phenyl-1H-pyrrole-2,3-dione
SMILESO=C1C=C(c2ccccc2)NC1=O
InChIInChI=1S/C10H7NO2/c12-9-6-8(11-10(9)13)7-4-2-1-3-5-7/h1-6H,(H,11,12,13)
InChIKeyGHURLMDZQKAWAS-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.73
Rot. Bonds1

About 5-phenyl-1H-pyrrole-2,3-dione

5-phenyl-1H-pyrrole-2,3-dione (PubChem CID 13165116) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 5-phenyl-1H-pyrrole-2,3-dione.

Molecular Properties

Compound Name5-phenyl-1H-pyrrole-2,3-dione
PubChem CID13165116
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name5-phenyl-1H-pyrrole-2,3-dione
SMILESO=C1C=C(c2ccccc2)NC1=O
InChIInChI=1S/C10H7NO2/c12-9-6-8(11-10(9)13)7-4-2-1-3-5-7/h1-6H,(H,11,12,13)
InChIKeyGHURLMDZQKAWAS-UHFFFAOYSA-N
XLogP0.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 137238637
3-(2,6-diphenylthiopyran-4-ylidene)-5-phenyl-1H-pyrrol-2-one
CID 162715481
4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoic acid
CID 23819480
3,3,5-triphenyl-1H-pyrrol-2-one
CID 14668218
methanol;3-phenylpyrrole-2,5-dione
CID 21418489
4-methylidene-2-phenyl-1H-quinoline
CID 89408092
3-methyl-4-phenylpyrrole-2,5-dione
CID 54119912
2-anilino-5-phenylcyclohexa-2,5-diene-1,4-dione
CID 146457509
(3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one
CID 5277452
3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one
CID 175310610
3-azabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione
CID 18926764
3-cyano-5-oxo-7-phenyl-1,4-dihydro-1,4-diazepine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-pyrrole-2,3-dione?
The IUPAC name of 5-phenyl-1H-pyrrole-2,3-dione (CID 13165116) is 5-phenyl-1H-pyrrole-2,3-dione.
What is the SMILES notation for 5-phenyl-1H-pyrrole-2,3-dione?
The canonical SMILES for 5-phenyl-1H-pyrrole-2,3-dione is O=C1C=C(c2ccccc2)NC1=O.
What is the InChIKey of 5-phenyl-1H-pyrrole-2,3-dione?
The InChIKey is GHURLMDZQKAWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-9-6-8(11-10(9)13)7-4-2-1-3-5-7/h1-6H,(H,11,12,13).
What are the key properties of 5-phenyl-1H-pyrrole-2,3-dione?
5-phenyl-1H-pyrrole-2,3-dione has a molecular weight of 173.17 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-pyrrole-2,3-dione is sourced from PubChem (CID 13165116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).