[5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol

C15H23NO — CID 100792830

IUPAC[5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol
SMILESC=CCn1c(CO)ccc1CC1CCCCC1
InChIInChI=1S/C15H23NO/c1-2-10-16-14(8-9-15(16)12-17)11-13-6-4-3-5-7-13/h2,8-9,13,17H,1,3-7,10-12H2
InChIKeyPPPGOBOPCZVUFD-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.29
Rot. Bonds5

About [5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol

[5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol (PubChem CID 100792830) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol.

Molecular Properties

Compound Name[5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol
PubChem CID100792830
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol
SMILESC=CCn1c(CO)ccc1CC1CCCCC1
InChIInChI=1S/C15H23NO/c1-2-10-16-14(8-9-15(16)12-17)11-13-6-4-3-5-7-13/h2,8-9,13,17H,1,3-7,10-12H2
InChIKeyPPPGOBOPCZVUFD-UHFFFAOYSA-N
XLogP3.29
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol 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 [5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol?
The IUPAC name of [5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol (CID 100792830) is [5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol.
What is the SMILES notation for [5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol?
The canonical SMILES for [5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol is C=CCn1c(CO)ccc1CC1CCCCC1.
What is the InChIKey of [5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol?
The InChIKey is PPPGOBOPCZVUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-10-16-14(8-9-15(16)12-17)11-13-6-4-3-5-7-13/h2,8-9,13,17H,1,3-7,10-12H2.
What are the key properties of [5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol?
[5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol has a molecular weight of 233.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol is sourced from PubChem (CID 100792830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).