[5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol

C23H43NO — CID 141262186

IUPAC[5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol
SMILESCCCCCCCC/C=C/CCCCCCCC1=CC(C)(CO)CN1
InChIInChI=1S/C23H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(2,21-25)20-24-22/h10-11,19,24-25H,3-9,12-18,20-21H2,1-2H3/b11-10+
InChIKeyHHIXZYCALKJNIN-ZHACJKMWSA-N
MW349.60 g/mol
LogP6.51
Rot. Bonds16

About [5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol

[5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol (PubChem CID 141262186) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is [5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol
PubChem CID141262186
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Name[5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol
SMILESCCCCCCCC/C=C/CCCCCCCC1=CC(C)(CO)CN1
InChIInChI=1S/C23H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(2,21-25)20-24-22/h10-11,19,24-25H,3-9,12-18,20-21H2,1-2H3/b11-10+
InChIKeyHHIXZYCALKJNIN-ZHACJKMWSA-N
XLogP6.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-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-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol?
The IUPAC name of [5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol (CID 141262186) is [5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol.
What is the SMILES notation for [5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol?
The canonical SMILES for [5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol is CCCCCCCC/C=C/CCCCCCCC1=CC(C)(CO)CN1.
What is the InChIKey of [5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol?
The InChIKey is HHIXZYCALKJNIN-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(2,21-25)20-24-22/h10-11,19,24-25H,3-9,12-18,20-21H2,1-2H3/b11-10+.
What are the key properties of [5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol?
[5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol has a molecular weight of 349.60 g/mol, XLogP of 6.51, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol is sourced from PubChem (CID 141262186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).