2-amino-3-(1H-indol-3-yl)propanal;methanol

C12H16N2O2 — CID 144925794

IUPAC2-amino-3-(1H-indol-3-yl)propanal;methanol
SMILESCO.NC(C=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2O.CH4O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11;1-2/h1-4,6-7,9,13H,5,12H2;2H,1H3
InChIKeyLSKVDGRCIKMCSJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.85
Rot. Bonds3

About 2-amino-3-(1H-indol-3-yl)propanal;methanol

2-amino-3-(1H-indol-3-yl)propanal;methanol (PubChem CID 144925794) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)propanal;methanol.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)propanal;methanol
PubChem CID144925794
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-3-(1H-indol-3-yl)propanal;methanol
SMILESCO.NC(C=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2O.CH4O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11;1-2/h1-4,6-7,9,13H,5,12H2;2H,1H3
InChIKeyLSKVDGRCIKMCSJ-UHFFFAOYSA-N
XLogP0.85
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-(1H-indol-3-yl)propanal;methanol 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

2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
CID 144925786
acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 88778377
(5S)-5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
CID 67517548
(E,5R)-5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
CID 56956278
5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
CID 67517540
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
1-(1H-indol-3-yl)butan-2-amine
CID 8367
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]formamide
CID 123425108
[3-[(2S)-2-amino-3-oxopropyl]-1H-indol-5-yl] acetate
CID 57152868

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)propanal;methanol?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)propanal;methanol (CID 144925794) is 2-amino-3-(1H-indol-3-yl)propanal;methanol.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)propanal;methanol?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)propanal;methanol is CO.NC(C=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)propanal;methanol?
The InChIKey is LSKVDGRCIKMCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.CH4O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11;1-2/h1-4,6-7,9,13H,5,12H2;2H,1H3.
What are the key properties of 2-amino-3-(1H-indol-3-yl)propanal;methanol?
2-amino-3-(1H-indol-3-yl)propanal;methanol has a molecular weight of 220.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)propanal;methanol is sourced from PubChem (CID 144925794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).