2-(1-methylindol-3-yl)-2-oxoacetamide

C11H10N2O2 — CID 594179

IUPAC2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(N)=O)c2ccccc21
InChIInChI=1S/C11H10N2O2/c1-13-6-8(10(14)11(12)15)7-4-2-3-5-9(7)13/h2-6H,1H3,(H2,12,15)
InChIKeyNHABXENRVFNROZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.85
Rot. Bonds2

About 2-(1-methylindol-3-yl)-2-oxoacetamide

2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 594179) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID594179
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(N)=O)c2ccccc21
InChIInChI=1S/C11H10N2O2/c1-13-6-8(10(14)11(12)15)7-4-2-3-5-9(7)13/h2-6H,1H3,(H2,12,15)
InChIKeyNHABXENRVFNROZ-UHFFFAOYSA-N
XLogP0.85
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
1-methylindole-3-carbothioic S-acid
CID 116918837
2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide
CID 18385421
2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide
CID 20976467
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
chloro 1-methylindole-3-carboxylate
CID 69132264
[3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide
CID 162417037
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
[(2S)-1-amino-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 40518343
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-2-oxoacetamide (CID 594179) is 2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-2-oxoacetamide is Cn1cc(C(=O)C(N)=O)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is NHABXENRVFNROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-13-6-8(10(14)11(12)15)7-4-2-3-5-9(7)13/h2-6H,1H3,(H2,12,15).
What are the key properties of 2-(1-methylindol-3-yl)-2-oxoacetamide?
2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 202.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 594179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).