1-(5-amino-1H-indol-2-yl)ethanone

C10H10N2O — CID 59837588

IUPAC1-(5-amino-1H-indol-2-yl)ethanone
SMILESCC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C10H10N2O/c1-6(13)10-5-7-4-8(11)2-3-9(7)12-10/h2-5,12H,11H2,1H3
InChIKeyWBHALBQFACKIBY-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.95
Rot. Bonds1

About 1-(5-amino-1H-indol-2-yl)ethanone

1-(5-amino-1H-indol-2-yl)ethanone (PubChem CID 59837588) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(5-amino-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1H-indol-2-yl)ethanone
PubChem CID59837588
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-(5-amino-1H-indol-2-yl)ethanone
SMILESCC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C10H10N2O/c1-6(13)10-5-7-4-8(11)2-3-9(7)12-10/h2-5,12H,11H2,1H3
InChIKeyWBHALBQFACKIBY-UHFFFAOYSA-N
XLogP1.95
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
3-methylbutan-2-yl 5-amino-1H-indole-2-carboxylate
CID 107363382
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186
5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide
CID 107581689
5-amino-N-(1-cyclopropylethyl)-N-methyl-1H-indole-2-carboxamide
CID 55178492
3,3-dimethylbutyl 5-amino-1H-indole-2-carboxylate
CID 107363380
2-propoxyethyl 5-amino-1H-indole-2-carboxylate
CID 107363371
5-amino-N-butan-2-yl-N-ethyl-1H-indole-2-carboxamide
CID 63117753
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
cyclobutyl 5-amino-1H-indole-2-carboxylate
CID 107363368

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-indol-2-yl)ethanone?
The IUPAC name of 1-(5-amino-1H-indol-2-yl)ethanone (CID 59837588) is 1-(5-amino-1H-indol-2-yl)ethanone.
What is the SMILES notation for 1-(5-amino-1H-indol-2-yl)ethanone?
The canonical SMILES for 1-(5-amino-1H-indol-2-yl)ethanone is CC(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 1-(5-amino-1H-indol-2-yl)ethanone?
The InChIKey is WBHALBQFACKIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6(13)10-5-7-4-8(11)2-3-9(7)12-10/h2-5,12H,11H2,1H3.
What are the key properties of 1-(5-amino-1H-indol-2-yl)ethanone?
1-(5-amino-1H-indol-2-yl)ethanone has a molecular weight of 174.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-indol-2-yl)ethanone is sourced from PubChem (CID 59837588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).