1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol

C11H19NO — CID 130510140

IUPAC1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C2C=CCN2)CC1
InChIInChI=1S/C11H19NO/c1-9-4-6-11(13,7-5-9)10-3-2-8-12-10/h2-3,9-10,12-13H,4-8H2,1H3
InChIKeyYBCCKZMIJSGHNZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.46
Rot. Bonds1

About 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol

1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol (PubChem CID 130510140) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol
PubChem CID130510140
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C2C=CCN2)CC1
InChIInChI=1S/C11H19NO/c1-9-4-6-11(13,7-5-9)10-3-2-8-12-10/h2-3,9-10,12-13H,4-8H2,1H3
InChIKeyYBCCKZMIJSGHNZ-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol 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 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol (CID 130510140) is 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol is CC1CCC(O)(C2C=CCN2)CC1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol?
The InChIKey is YBCCKZMIJSGHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-4-6-11(13,7-5-9)10-3-2-8-12-10/h2-3,9-10,12-13H,4-8H2,1H3.
What are the key properties of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol?
1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 130510140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).