2-(2-methylpropyl)indole-1-carbaldehyde

C13H15NO — CID 53309306

IUPAC2-(2-methylpropyl)indole-1-carbaldehyde
SMILESCC(C)Cc1cc2ccccc2n1C=O
InChIInChI=1S/C13H15NO/c1-10(2)7-12-8-11-5-3-4-6-13(11)14(12)9-15/h3-6,8-10H,7H2,1-2H3
InChIKeyGUOZTALIPTWBIA-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.88
Rot. Bonds3

About 2-(2-methylpropyl)indole-1-carbaldehyde

2-(2-methylpropyl)indole-1-carbaldehyde (PubChem CID 53309306) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-methylpropyl)indole-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylpropyl)indole-1-carbaldehyde
PubChem CID53309306
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(2-methylpropyl)indole-1-carbaldehyde
SMILESCC(C)Cc1cc2ccccc2n1C=O
InChIInChI=1S/C13H15NO/c1-10(2)7-12-8-11-5-3-4-6-13(11)14(12)9-15/h3-6,8-10H,7H2,1-2H3
InChIKeyGUOZTALIPTWBIA-UHFFFAOYSA-N
XLogP2.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methylpropyl)indole-1-carbaldehyde 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-propan-2-ylindole-1-carbaldehyde
CID 119084324
2-hydroxyindole-1-carbaldehyde
CID 57004350
(E)-3-(1-methylindol-2-yl)prop-2-enal
CID 146445442
N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine
CID 106731933
1-(1-methylindol-2-yl)-3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 175586016
1-(1-methylindol-2-yl)butan-2-amine
CID 131504320
(1-propan-2-ylindol-2-yl)methanethiol
CID 117174071
2-ethyl-1-hydroxyindole
CID 22747467
2-(1-ethylindol-2-yl)acetamide
CID 67469018
2-(ethylsulfonylmethyl)-1-methylindole
CID 117173182
1-methyl-2-propylindole
CID 13170349
2-ethyl-N,N-dimethylindol-1-amine
CID 67614155

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)indole-1-carbaldehyde?
The IUPAC name of 2-(2-methylpropyl)indole-1-carbaldehyde (CID 53309306) is 2-(2-methylpropyl)indole-1-carbaldehyde.
What is the SMILES notation for 2-(2-methylpropyl)indole-1-carbaldehyde?
The canonical SMILES for 2-(2-methylpropyl)indole-1-carbaldehyde is CC(C)Cc1cc2ccccc2n1C=O.
What is the InChIKey of 2-(2-methylpropyl)indole-1-carbaldehyde?
The InChIKey is GUOZTALIPTWBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(2)7-12-8-11-5-3-4-6-13(11)14(12)9-15/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)indole-1-carbaldehyde?
2-(2-methylpropyl)indole-1-carbaldehyde has a molecular weight of 201.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)indole-1-carbaldehyde is sourced from PubChem (CID 53309306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).