1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde

C13H15NO — CID 115106309

IUPAC1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde
SMILESO=CC1Cc2ccccc2N1CC1CC1
InChIInChI=1S/C13H15NO/c15-9-12-7-11-3-1-2-4-13(11)14(12)8-10-5-6-10/h1-4,9-10,12H,5-8H2
InChIKeyUWBLHSDEGJNSTN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.03
Rot. Bonds3

About 1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde

1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde (PubChem CID 115106309) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde
PubChem CID115106309
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde
SMILESO=CC1Cc2ccccc2N1CC1CC1
InChIInChI=1S/C13H15NO/c15-9-12-7-11-3-1-2-4-13(11)14(12)8-10-5-6-10/h1-4,9-10,12H,5-8H2
InChIKeyUWBLHSDEGJNSTN-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclopropylmethyl)-2,3-dihydroindole-2-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

(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 99982020
1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 102567896
1-(2-bromoethyl)-2,3-dihydroindole-2-carbaldehyde
CID 86273196
(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde
CID 59912246
[(E)-[(2S)-1-[(4-chlorocyclohexyl)methyl]-2,3-dihydroindol-2-yl]methylideneamino]thiourea
CID 142921386
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone
CID 115106312
[1-(cyclopentylmethyl)-2,3-dihydroindol-2-yl]methanamine
CID 115106249
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol
CID 115106208
3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid
CID 115106341
(2S)-1-(piperidin-4-ylmethyl)-2,3-dihydroindole-2-carboxamide;hydrochloride
CID 119930985
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942
3-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 115106344

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde?
The IUPAC name of 1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde (CID 115106309) is 1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde.
What is the SMILES notation for 1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde?
The canonical SMILES for 1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde is O=CC1Cc2ccccc2N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde?
The InChIKey is UWBLHSDEGJNSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-9-12-7-11-3-1-2-4-13(11)14(12)8-10-5-6-10/h1-4,9-10,12H,5-8H2.
What are the key properties of 1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde?
1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde has a molecular weight of 201.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde is sourced from PubChem (CID 115106309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).