4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one

C12H14N2O2 — CID 96610121

IUPAC4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one
SMILESNCCCC(=O)c1cc2cccc(O)c2[nH]1
InChIInChI=1S/C12H14N2O2/c13-6-2-5-10(15)9-7-8-3-1-4-11(16)12(8)14-9/h1,3-4,7,14,16H,2,5-6,13H2
InChIKeyJBNFGTKBTFCCIY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.80
Rot. Bonds4

About 4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one

4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one (PubChem CID 96610121) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one
PubChem CID96610121
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one
SMILESNCCCC(=O)c1cc2cccc(O)c2[nH]1
InChIInChI=1S/C12H14N2O2/c13-6-2-5-10(15)9-7-8-3-1-4-11(16)12(8)14-9/h1,3-4,7,14,16H,2,5-6,13H2
InChIKeyJBNFGTKBTFCCIY-UHFFFAOYSA-N
XLogP1.80
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-(7-hydroxy-1H-indol-2-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one?
The IUPAC name of 4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one (CID 96610121) is 4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one is NCCCC(=O)c1cc2cccc(O)c2[nH]1.
What is the InChIKey of 4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one?
The InChIKey is JBNFGTKBTFCCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-6-2-5-10(15)9-7-8-3-1-4-11(16)12(8)14-9/h1,3-4,7,14,16H,2,5-6,13H2.
What are the key properties of 4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one?
4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one has a molecular weight of 218.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one is sourced from PubChem (CID 96610121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).