6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde

C12H19NO — CID 175238662

IUPAC6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde
SMILESCC1CCC=C(N2CCCC2)C1C=O
InChIInChI=1S/C12H19NO/c1-10-5-4-6-12(11(10)9-14)13-7-2-3-8-13/h6,9-11H,2-5,7-8H2,1H3
InChIKeyZAUNKJVHFQLTCD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.21
Rot. Bonds2

About 6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde

6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde (PubChem CID 175238662) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde
PubChem CID175238662
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde
SMILESCC1CCC=C(N2CCCC2)C1C=O
InChIInChI=1S/C12H19NO/c1-10-5-4-6-12(11(10)9-14)13-7-2-3-8-13/h6,9-11H,2-5,7-8H2,1H3
InChIKeyZAUNKJVHFQLTCD-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-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 6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde (CID 175238662) is 6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde is CC1CCC=C(N2CCCC2)C1C=O.
What is the InChIKey of 6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde?
The InChIKey is ZAUNKJVHFQLTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-5-4-6-12(11(10)9-14)13-7-2-3-8-13/h6,9-11H,2-5,7-8H2,1H3.
What are the key properties of 6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde?
6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde has a molecular weight of 193.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 175238662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).