3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde

C15H17NO — CID 83918158

IUPAC3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde
SMILESCc1ccc2c(c1)c(C1CCC1)c(C=O)n2C
InChIInChI=1S/C15H17NO/c1-10-6-7-13-12(8-10)15(11-4-3-5-11)14(9-17)16(13)2/h6-9,11H,3-5H2,1-2H3
InChIKeyURKWLGMAMMAFJI-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.57
Rot. Bonds2

About 3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde

3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde (PubChem CID 83918158) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde.

Molecular Properties

Compound Name3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde
PubChem CID83918158
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde
SMILESCc1ccc2c(c1)c(C1CCC1)c(C=O)n2C
InChIInChI=1S/C15H17NO/c1-10-6-7-13-12(8-10)15(11-4-3-5-11)14(9-17)16(13)2/h6-9,11H,3-5H2,1-2H3
InChIKeyURKWLGMAMMAFJI-UHFFFAOYSA-N
XLogP3.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclopropyl-1,5-dimethylindol-2-yl)ethanamine
CID 83918262
6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine
CID 84740019
1,5-dimethylindole-3-carbaldehyde
CID 1419073
1-cyclopropyl-5-methylindole-3-carbaldehyde
CID 115021718
5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine
CID 174382438
3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole
CID 144680666
1,2,5-trimethylindole-3-thiol
CID 142076478
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355
[(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea
CID 878821
1,5-dimethyl-3-(oxan-4-yl)indole
CID 170793056
cyclopropyl-(1,5-dimethylindol-3-yl)methanone
CID 82278819
1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262568

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde?
The IUPAC name of 3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde (CID 83918158) is 3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde.
What is the SMILES notation for 3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde?
The canonical SMILES for 3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde is Cc1ccc2c(c1)c(C1CCC1)c(C=O)n2C.
What is the InChIKey of 3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde?
The InChIKey is URKWLGMAMMAFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-6-7-13-12(8-10)15(11-4-3-5-11)14(9-17)16(13)2/h6-9,11H,3-5H2,1-2H3.
What are the key properties of 3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde?
3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde has a molecular weight of 227.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde is sourced from PubChem (CID 83918158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).