N-benzyl-2,5-dioxopyrrole-1-carboxamide

C12H10N2O3 — CID 13227743

IUPACN-benzyl-2,5-dioxopyrrole-1-carboxamide
SMILESO=C1C=CC(=O)N1C(=O)NCc1ccccc1
InChIInChI=1S/C12H10N2O3/c15-10-6-7-11(16)14(10)12(17)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,17)
InChIKeyXSLLZYSWSGYAMN-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.82
Rot. Bonds2

About N-benzyl-2,5-dioxopyrrole-1-carboxamide

N-benzyl-2,5-dioxopyrrole-1-carboxamide (PubChem CID 13227743) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is N-benzyl-2,5-dioxopyrrole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,5-dioxopyrrole-1-carboxamide
PubChem CID13227743
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC NameN-benzyl-2,5-dioxopyrrole-1-carboxamide
SMILESO=C1C=CC(=O)N1C(=O)NCc1ccccc1
InChIInChI=1S/C12H10N2O3/c15-10-6-7-11(16)14(10)12(17)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,17)
InChIKeyXSLLZYSWSGYAMN-UHFFFAOYSA-N
XLogP0.82
TPSA66.48 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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide
CID 145361757
N-benzylazonane-1-carboxamide
CID 130689649
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
benzene;benzylurea;hydrazine
CID 68793593
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
N'-benzyloxamide
CID 561416
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 107653612
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate
CID 66880105

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dioxopyrrole-1-carboxamide?
The IUPAC name of N-benzyl-2,5-dioxopyrrole-1-carboxamide (CID 13227743) is N-benzyl-2,5-dioxopyrrole-1-carboxamide.
What is the SMILES notation for N-benzyl-2,5-dioxopyrrole-1-carboxamide?
The canonical SMILES for N-benzyl-2,5-dioxopyrrole-1-carboxamide is O=C1C=CC(=O)N1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2,5-dioxopyrrole-1-carboxamide?
The InChIKey is XSLLZYSWSGYAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-10-6-7-11(16)14(10)12(17)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,17).
What are the key properties of N-benzyl-2,5-dioxopyrrole-1-carboxamide?
N-benzyl-2,5-dioxopyrrole-1-carboxamide has a molecular weight of 230.22 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dioxopyrrole-1-carboxamide is sourced from PubChem (CID 13227743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).