1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde

C17H19NO — CID 71368514

IUPAC1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1CCC1=CCCCC1
InChIInChI=1S/C17H19NO/c19-13-16-12-15-8-4-5-9-17(15)18(16)11-10-14-6-2-1-3-7-14/h4-6,8-9,12-13H,1-3,7,10-11H2
InChIKeySBQGPOJGCVBDMH-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.34
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde

1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde (PubChem CID 71368514) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde
PubChem CID71368514
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1CCC1=CCCCC1
InChIInChI=1S/C17H19NO/c19-13-16-12-15-8-4-5-9-17(15)18(16)11-10-14-6-2-1-3-7-14/h4-6,8-9,12-13H,1-3,7,10-11H2
InChIKeySBQGPOJGCVBDMH-UHFFFAOYSA-N
XLogP4.34
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde (CID 71368514) is 1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde is O=Cc1cc2ccccc2n1CCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde?
The InChIKey is SBQGPOJGCVBDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-13-16-12-15-8-4-5-9-17(15)18(16)11-10-14-6-2-1-3-7-14/h4-6,8-9,12-13H,1-3,7,10-11H2.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde?
1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde has a molecular weight of 253.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde is sourced from PubChem (CID 71368514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).