4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde

C19H17NO2 — CID 58454912

IUPAC4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde
SMILESCOc1ccc(-n2c3c(c4cc(C=O)ccc42)CCC3)cc1
InChIInChI=1S/C19H17NO2/c1-22-15-8-6-14(7-9-15)20-18-4-2-3-16(18)17-11-13(12-21)5-10-19(17)20/h5-12H,2-4H2,1H3
InChIKeyAKZONRCQSPXBAG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.94
Rot. Bonds3

About 4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde

4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde (PubChem CID 58454912) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde
PubChem CID58454912
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde
SMILESCOc1ccc(-n2c3c(c4cc(C=O)ccc42)CCC3)cc1
InChIInChI=1S/C19H17NO2/c1-22-15-8-6-14(7-9-15)20-18-4-2-3-16(18)17-11-13(12-21)5-10-19(17)20/h5-12H,2-4H2,1H3
InChIKeyAKZONRCQSPXBAG-UHFFFAOYSA-N
XLogP3.94
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde?
The IUPAC name of 4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde (CID 58454912) is 4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde?
The canonical SMILES for 4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde is COc1ccc(-n2c3c(c4cc(C=O)ccc42)CCC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde?
The InChIKey is AKZONRCQSPXBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-22-15-8-6-14(7-9-15)20-18-4-2-3-16(18)17-11-13(12-21)5-10-19(17)20/h5-12H,2-4H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde?
4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde has a molecular weight of 291.35 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde is sourced from PubChem (CID 58454912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).