2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone

C10H10N2O2 — CID 147638405

IUPAC2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
SMILESNC(O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H10N2O2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,10,12,14H,11H2
InChIKeyGHCYBMDFFTVIIV-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.63
Rot. Bonds2

About 2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone

2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone (PubChem CID 147638405) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
PubChem CID147638405
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
SMILESNC(O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H10N2O2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,10,12,14H,11H2
InChIKeyGHCYBMDFFTVIIV-UHFFFAOYSA-N
XLogP0.63
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
sodium 1H-indole-3-carboxylate
CID 23698293
CID 159289295
CID 159289295
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-oxo-1H-indole-3-carboxamide
CID 88522766
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 15093890
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 8790821
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone (CID 147638405) is 2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone is NC(O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone?
The InChIKey is GHCYBMDFFTVIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,10,12,14H,11H2.
What are the key properties of 2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone?
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone has a molecular weight of 190.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 147638405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).