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

C13H18N2O2 — CID 144925786

IUPAC2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
SMILESCOC.NC(C=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2O.C2H6O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11;1-3-2/h1-4,6-7,9,13H,5,12H2;1-2H3
InChIKeyYSZWZGOJKRXASQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.50
Rot. Bonds3

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

2-amino-3-(1H-indol-3-yl)propanal;methoxymethane (PubChem CID 144925786) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)propanal;methoxymethane.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
PubChem CID144925786
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
SMILESCOC.NC(C=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2O.C2H6O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11;1-3-2/h1-4,6-7,9,13H,5,12H2;1-2H3
InChIKeyYSZWZGOJKRXASQ-UHFFFAOYSA-N
XLogP1.50
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 88778377
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645
1-(1H-indol-3-yl)butan-2-amine
CID 8367
[3-[(2S)-2-amino-3-oxopropyl]-1H-indol-5-yl] acetate
CID 57152868
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366
3-(2-fluoropropyl)-1H-indole
CID 142409179
N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide
CID 89381035
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)propanal;methoxymethane?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)propanal;methoxymethane (CID 144925786) is 2-amino-3-(1H-indol-3-yl)propanal;methoxymethane.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)propanal;methoxymethane?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)propanal;methoxymethane is COC.NC(C=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)propanal;methoxymethane?
The InChIKey is YSZWZGOJKRXASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11;1-3-2/h1-4,6-7,9,13H,5,12H2;1-2H3.
What are the key properties of 2-amino-3-(1H-indol-3-yl)propanal;methoxymethane?
2-amino-3-(1H-indol-3-yl)propanal;methoxymethane has a molecular weight of 234.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 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;methoxymethane is sourced from PubChem (CID 144925786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).