2-undecyl-3H-pyrrole

C15H27N — CID 158298379

IUPAC2-undecyl-3H-pyrrole
SMILESCCCCCCCCCCCC1=NC=CC1
InChIInChI=1S/C15H27N/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15/h11,14H,2-10,12-13H2,1H3
InChIKeyWWVXDFWUYYFQIG-UHFFFAOYSA-N
MW221.39 g/mol
LogP5.27
Rot. Bonds10

About 2-undecyl-3H-pyrrole

2-undecyl-3H-pyrrole (PubChem CID 158298379) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-undecyl-3H-pyrrole.

Molecular Properties

Compound Name2-undecyl-3H-pyrrole
PubChem CID158298379
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-undecyl-3H-pyrrole
SMILESCCCCCCCCCCCC1=NC=CC1
InChIInChI=1S/C15H27N/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15/h11,14H,2-10,12-13H2,1H3
InChIKeyWWVXDFWUYYFQIG-UHFFFAOYSA-N
XLogP5.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-undecyl-3H-pyrrole 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 2-undecyl-3H-pyrrole?
The IUPAC name of 2-undecyl-3H-pyrrole (CID 158298379) is 2-undecyl-3H-pyrrole.
What is the SMILES notation for 2-undecyl-3H-pyrrole?
The canonical SMILES for 2-undecyl-3H-pyrrole is CCCCCCCCCCCC1=NC=CC1.
What is the InChIKey of 2-undecyl-3H-pyrrole?
The InChIKey is WWVXDFWUYYFQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15/h11,14H,2-10,12-13H2,1H3.
What are the key properties of 2-undecyl-3H-pyrrole?
2-undecyl-3H-pyrrole has a molecular weight of 221.39 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyl-3H-pyrrole is sourced from PubChem (CID 158298379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).