2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde

C20H19NO — CID 3828993

IUPAC2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2CCCC2)[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C20H19NO/c22-13-18-17-12-16(14-6-2-1-3-7-14)10-11-19(17)21-20(18)15-8-4-5-9-15/h1-3,6-7,10-13,15,21H,4-5,8-9H2
InChIKeyOFLZMEFRNHLNBK-UHFFFAOYSA-N
MW289.38 g/mol
LogP5.30
Rot. Bonds3

About 2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde

2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde (PubChem CID 3828993) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde
PubChem CID3828993
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2CCCC2)[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C20H19NO/c22-13-18-17-12-16(14-6-2-1-3-7-14)10-11-19(17)21-20(18)15-8-4-5-9-15/h1-3,6-7,10-13,15,21H,4-5,8-9H2
InChIKeyOFLZMEFRNHLNBK-UHFFFAOYSA-N
XLogP5.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde (CID 3828993) is 2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde is O=Cc1c(C2CCCC2)[nH]c2ccc(-c3ccccc3)cc12.
What is the InChIKey of 2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde?
The InChIKey is OFLZMEFRNHLNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c22-13-18-17-12-16(14-6-2-1-3-7-14)10-11-19(17)21-20(18)15-8-4-5-9-15/h1-3,6-7,10-13,15,21H,4-5,8-9H2.
What are the key properties of 2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde?
2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde has a molecular weight of 289.38 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3828993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).