3-amino-1-(1H-indol-3-yl)butan-1-one

C12H14N2O — CID 116915601

IUPAC3-amino-1-(1H-indol-3-yl)butan-1-one
SMILESCC(N)CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c1-8(13)6-12(15)10-7-14-11-5-3-2-4-9(10)11/h2-5,7-8,14H,6,13H2,1H3
InChIKeyQHFJOYHGNJZXLI-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.09
Rot. Bonds3

About 3-amino-1-(1H-indol-3-yl)butan-1-one

3-amino-1-(1H-indol-3-yl)butan-1-one (PubChem CID 116915601) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-amino-1-(1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(1H-indol-3-yl)butan-1-one
PubChem CID116915601
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-amino-1-(1H-indol-3-yl)butan-1-one
SMILESCC(N)CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c1-8(13)6-12(15)10-7-14-11-5-3-2-4-9(10)11/h2-5,7-8,14H,6,13H2,1H3
InChIKeyQHFJOYHGNJZXLI-UHFFFAOYSA-N
XLogP2.09
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(1H-indol-3-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one
CID 116916106
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405
CID 159289295
CID 159289295
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128
[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid
CID 102129257

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1H-indol-3-yl)butan-1-one?
The IUPAC name of 3-amino-1-(1H-indol-3-yl)butan-1-one (CID 116915601) is 3-amino-1-(1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 3-amino-1-(1H-indol-3-yl)butan-1-one?
The canonical SMILES for 3-amino-1-(1H-indol-3-yl)butan-1-one is CC(N)CC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 3-amino-1-(1H-indol-3-yl)butan-1-one?
The InChIKey is QHFJOYHGNJZXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(13)6-12(15)10-7-14-11-5-3-2-4-9(10)11/h2-5,7-8,14H,6,13H2,1H3.
What are the key properties of 3-amino-1-(1H-indol-3-yl)butan-1-one?
3-amino-1-(1H-indol-3-yl)butan-1-one has a molecular weight of 202.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 116915601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).