1-cyclopentylindole-5-carbaldehyde

C14H15NO — CID 115115491

IUPAC1-cyclopentylindole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2C2CCCC2)c1
InChIInChI=1S/C14H15NO/c16-10-11-5-6-14-12(9-11)7-8-15(14)13-3-1-2-4-13/h5-10,13H,1-4H2
InChIKeyNGGFAARRHIXQPC-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.57
Rot. Bonds2

About 1-cyclopentylindole-5-carbaldehyde

1-cyclopentylindole-5-carbaldehyde (PubChem CID 115115491) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-cyclopentylindole-5-carbaldehyde.

Molecular Properties

Compound Name1-cyclopentylindole-5-carbaldehyde
PubChem CID115115491
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-cyclopentylindole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2C2CCCC2)c1
InChIInChI=1S/C14H15NO/c16-10-11-5-6-14-12(9-11)7-8-15(14)13-3-1-2-4-13/h5-10,13H,1-4H2
InChIKeyNGGFAARRHIXQPC-UHFFFAOYSA-N
XLogP3.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylindole-5-carbaldehyde?
The IUPAC name of 1-cyclopentylindole-5-carbaldehyde (CID 115115491) is 1-cyclopentylindole-5-carbaldehyde.
What is the SMILES notation for 1-cyclopentylindole-5-carbaldehyde?
The canonical SMILES for 1-cyclopentylindole-5-carbaldehyde is O=Cc1ccc2c(ccn2C2CCCC2)c1.
What is the InChIKey of 1-cyclopentylindole-5-carbaldehyde?
The InChIKey is NGGFAARRHIXQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c16-10-11-5-6-14-12(9-11)7-8-15(14)13-3-1-2-4-13/h5-10,13H,1-4H2.
What are the key properties of 1-cyclopentylindole-5-carbaldehyde?
1-cyclopentylindole-5-carbaldehyde has a molecular weight of 213.28 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 1-cyclopentylindole-5-carbaldehyde is sourced from PubChem (CID 115115491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).