1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde

C13H19NO — CID 62405959

IUPAC1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde
SMILESCC(C1CCCCC1)n1cccc1C=O
InChIInChI=1S/C13H19NO/c1-11(12-6-3-2-4-7-12)14-9-5-8-13(14)10-15/h5,8-12H,2-4,6-7H2,1H3
InChIKeyWIAAERHQTLWHMZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.44
Rot. Bonds3

About 1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde

1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde (PubChem CID 62405959) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde
PubChem CID62405959
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde
SMILESCC(C1CCCCC1)n1cccc1C=O
InChIInChI=1S/C13H19NO/c1-11(12-6-3-2-4-7-12)14-9-5-8-13(14)10-15/h5,8-12H,2-4,6-7H2,1H3
InChIKeyWIAAERHQTLWHMZ-UHFFFAOYSA-N
XLogP3.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.44
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-(1-cyclohexylethyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde (CID 62405959) is 1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde is CC(C1CCCCC1)n1cccc1C=O.
What is the InChIKey of 1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde?
The InChIKey is WIAAERHQTLWHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(12-6-3-2-4-7-12)14-9-5-8-13(14)10-15/h5,8-12H,2-4,6-7H2,1H3.
What are the key properties of 1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde?
1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde has a molecular weight of 205.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 62405959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).