3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide

C12H10N2O3 — CID 113224926

IUPAC3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide
SMILESCC1=CC(=O)N(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C12H10N2O3/c1-7-5-10(15)14(12(7)17)9-4-2-3-8(6-9)11(13)16/h2-6H,1H3,(H2,13,16)
InChIKeyJWHUSVVLZCUSRD-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.61
Rot. Bonds2

About 3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide

3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide (PubChem CID 113224926) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide.

Molecular Properties

Compound Name3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide
PubChem CID113224926
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide
SMILESCC1=CC(=O)N(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C12H10N2O3/c1-7-5-10(15)14(12(7)17)9-4-2-3-8(6-9)11(13)16/h2-6H,1H3,(H2,13,16)
InChIKeyJWHUSVVLZCUSRD-UHFFFAOYSA-N
XLogP0.61
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide 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-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione
CID 61207713
1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione
CID 880984
4-(3-methyl-2,5-dioxopyrrol-1-yl)benzoate
CID 26580205
3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione
CID 734368
3-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzoic acid
CID 71166009
3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione
CID 56988423
4-(3-methyl-2,5-dioxopyrrol-1-yl)benzene-1,2-dicarbonitrile
CID 114001948
1-(1,3-dioxo-2-benzofuran-5-yl)-3-methylpyrrole-2,5-dione
CID 88791034
3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione
CID 20545219
3-(2,5-dihydropyrrol-1-yl)benzamide
CID 90286995
2-chloro-4-(3-methyl-2,5-dioxopyrrol-1-yl)benzonitrile
CID 43237080
5-(3-methyl-2,5-dioxopyrrol-1-yl)-2-nitrobenzoic acid
CID 57215929

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide?
The IUPAC name of 3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide (CID 113224926) is 3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide.
What is the SMILES notation for 3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide?
The canonical SMILES for 3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide is CC1=CC(=O)N(c2cccc(C(N)=O)c2)C1=O.
What is the InChIKey of 3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide?
The InChIKey is JWHUSVVLZCUSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7-5-10(15)14(12(7)17)9-4-2-3-8(6-9)11(13)16/h2-6H,1H3,(H2,13,16).
What are the key properties of 3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide?
3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide has a molecular weight of 230.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide is sourced from PubChem (CID 113224926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).