5-acetamido-2-oxo-3H-indole-1-carboxamide

C11H11N3O3 — CID 70381945

IUPAC5-acetamido-2-oxo-3H-indole-1-carboxamide
SMILESCC(=O)Nc1ccc2c(c1)CC(=O)N2C(N)=O
InChIInChI=1S/C11H11N3O3/c1-6(15)13-8-2-3-9-7(4-8)5-10(16)14(9)11(12)17/h2-4H,5H2,1H3,(H2,12,17)(H,13,15)
InChIKeyZTWKDUXLMZRVIP-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.61
Rot. Bonds1

About 5-acetamido-2-oxo-3H-indole-1-carboxamide

5-acetamido-2-oxo-3H-indole-1-carboxamide (PubChem CID 70381945) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-acetamido-2-oxo-3H-indole-1-carboxamide.

Molecular Properties

Compound Name5-acetamido-2-oxo-3H-indole-1-carboxamide
PubChem CID70381945
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-acetamido-2-oxo-3H-indole-1-carboxamide
SMILESCC(=O)Nc1ccc2c(c1)CC(=O)N2C(N)=O
InChIInChI=1S/C11H11N3O3/c1-6(15)13-8-2-3-9-7(4-8)5-10(16)14(9)11(12)17/h2-4H,5H2,1H3,(H2,12,17)(H,13,15)
InChIKeyZTWKDUXLMZRVIP-UHFFFAOYSA-N
XLogP0.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
1-acetyl-5-amino-3H-indol-2-one
CID 12046998
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one
CID 115155191
5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide
CID 115172000
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805083
N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662
3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
CID 115153965
N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride
CID 10775658

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-oxo-3H-indole-1-carboxamide?
The IUPAC name of 5-acetamido-2-oxo-3H-indole-1-carboxamide (CID 70381945) is 5-acetamido-2-oxo-3H-indole-1-carboxamide.
What is the SMILES notation for 5-acetamido-2-oxo-3H-indole-1-carboxamide?
The canonical SMILES for 5-acetamido-2-oxo-3H-indole-1-carboxamide is CC(=O)Nc1ccc2c(c1)CC(=O)N2C(N)=O.
What is the InChIKey of 5-acetamido-2-oxo-3H-indole-1-carboxamide?
The InChIKey is ZTWKDUXLMZRVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6(15)13-8-2-3-9-7(4-8)5-10(16)14(9)11(12)17/h2-4H,5H2,1H3,(H2,12,17)(H,13,15).
What are the key properties of 5-acetamido-2-oxo-3H-indole-1-carboxamide?
5-acetamido-2-oxo-3H-indole-1-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-oxo-3H-indole-1-carboxamide is sourced from PubChem (CID 70381945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).