1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde

C18H15NO — CID 134938903

IUPAC1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde
SMILESC=C(c1ccccc1)c1c(C=O)c2ccccc2n1C
InChIInChI=1S/C18H15NO/c1-13(14-8-4-3-5-9-14)18-16(12-20)15-10-6-7-11-17(15)19(18)2/h3-12H,1H2,2H3
InChIKeyCTMZBSLVMHJNAI-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.05
Rot. Bonds3

About 1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde

1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde (PubChem CID 134938903) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde
PubChem CID134938903
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde
SMILESC=C(c1ccccc1)c1c(C=O)c2ccccc2n1C
InChIInChI=1S/C18H15NO/c1-13(14-8-4-3-5-9-14)18-16(12-20)15-10-6-7-11-17(15)19(18)2/h3-12H,1H2,2H3
InChIKeyCTMZBSLVMHJNAI-UHFFFAOYSA-N
XLogP4.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(1-phenylethenyl)indole-3-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-hexanoyl-1-methylindole-3-carbaldehyde
CID 10611168
2-fluoro-1-methylindole-3-carbaldehyde
CID 141053587
2-deuteriocarbonyl-1-methylindole-3-carbaldehyde
CID 12584870
3-hydroxy-9-methylcarbazole-4-carbaldehyde
CID 155346845
1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole
CID 71485412
2-azido-1-methylindole-3-carbaldehyde
CID 14245995
2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane
CID 91058510
3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one
CID 67199866
2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde
CID 10492940
N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide
CID 132567535
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
1-methyl-2-(4-methylphenoxy)indole-3-carbaldehyde
CID 2763797

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde?
The IUPAC name of 1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde (CID 134938903) is 1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde.
What is the SMILES notation for 1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde?
The canonical SMILES for 1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde is C=C(c1ccccc1)c1c(C=O)c2ccccc2n1C.
What is the InChIKey of 1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde?
The InChIKey is CTMZBSLVMHJNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-13(14-8-4-3-5-9-14)18-16(12-20)15-10-6-7-11-17(15)19(18)2/h3-12H,1H2,2H3.
What are the key properties of 1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde?
1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde has a molecular weight of 261.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde is sourced from PubChem (CID 134938903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).