4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one

C13H16N2O — CID 116916106

IUPAC4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O/c1-9(7-14)6-13(16)11-8-15-12-5-3-2-4-10(11)12/h2-5,8-9,15H,6-7,14H2,1H3
InChIKeyUQTFFSGUJXPHJV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.34
Rot. Bonds4

About 4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one

4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one (PubChem CID 116916106) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one
PubChem CID116916106
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O/c1-9(7-14)6-13(16)11-8-15-12-5-3-2-4-10(11)12/h2-5,8-9,15H,6-7,14H2,1H3
InChIKeyUQTFFSGUJXPHJV-UHFFFAOYSA-N
XLogP2.34
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
4-amino-1-(2-bromophenyl)-3-methylbutan-1-one
CID 116916169
4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one
CID 116596540
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
4-amino-1-isoquinolin-4-yl-3-methylbutan-1-one
CID 116596552
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one (CID 116916106) is 4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one is CC(CN)CC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one?
The InChIKey is UQTFFSGUJXPHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(7-14)6-13(16)11-8-15-12-5-3-2-4-10(11)12/h2-5,8-9,15H,6-7,14H2,1H3.
What are the key properties of 4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one?
4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one is sourced from PubChem (CID 116916106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).