1-cyclopropyl-5-methylindole-3-carbaldehyde

C13H13NO — CID 115021718

IUPAC1-cyclopropyl-5-methylindole-3-carbaldehyde
SMILESCc1ccc2c(c1)c(C=O)cn2C1CC1
InChIInChI=1S/C13H13NO/c1-9-2-5-13-12(6-9)10(8-15)7-14(13)11-3-4-11/h2,5-8,11H,3-4H2,1H3
InChIKeyXXJUZMMIGWAXBG-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.10
Rot. Bonds2

About 1-cyclopropyl-5-methylindole-3-carbaldehyde

1-cyclopropyl-5-methylindole-3-carbaldehyde (PubChem CID 115021718) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-cyclopropyl-5-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropyl-5-methylindole-3-carbaldehyde
PubChem CID115021718
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1-cyclopropyl-5-methylindole-3-carbaldehyde
SMILESCc1ccc2c(c1)c(C=O)cn2C1CC1
InChIInChI=1S/C13H13NO/c1-9-2-5-13-12(6-9)10(8-15)7-14(13)11-3-4-11/h2,5-8,11H,3-4H2,1H3
InChIKeyXXJUZMMIGWAXBG-UHFFFAOYSA-N
XLogP3.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-5-methylindole-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

1,5-dimethylindole-3-carbaldehyde
CID 1419073
1-cyclopropyl-5-methylindole-3-carboxylic acid
CID 115029082
1-(1-cyclopropyl-5-methylindol-3-yl)ethanone
CID 115028386
1-cyclobutyl-6-methylindole-3-carbonitrile
CID 58490959
3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde
CID 83918158
1-cyclopropyl-3-methylindole;ethane
CID 145207186
3-(1-cyclopropyl-6-methylindol-3-yl)propan-1-amine
CID 115036861
1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde
CID 143437109
N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
CID 142006209
3-bromo-1-cyclopropyl-5-methoxyindole
CID 115049436
1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carbaldehyde
CID 54387388
1-cyclopropyl-3-methylsulfanylindole
CID 174184058

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methylindole-3-carbaldehyde?
The IUPAC name of 1-cyclopropyl-5-methylindole-3-carbaldehyde (CID 115021718) is 1-cyclopropyl-5-methylindole-3-carbaldehyde.
What is the SMILES notation for 1-cyclopropyl-5-methylindole-3-carbaldehyde?
The canonical SMILES for 1-cyclopropyl-5-methylindole-3-carbaldehyde is Cc1ccc2c(c1)c(C=O)cn2C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methylindole-3-carbaldehyde?
The InChIKey is XXJUZMMIGWAXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-2-5-13-12(6-9)10(8-15)7-14(13)11-3-4-11/h2,5-8,11H,3-4H2,1H3.
What are the key properties of 1-cyclopropyl-5-methylindole-3-carbaldehyde?
1-cyclopropyl-5-methylindole-3-carbaldehyde has a molecular weight of 199.25 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methylindole-3-carbaldehyde is sourced from PubChem (CID 115021718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).