5-pyrrol-1-ylpentan-1-ol

C9H15NO — CID 63812265

IUPAC5-pyrrol-1-ylpentan-1-ol
SMILESOCCCCCn1cccc1
InChIInChI=1S/C9H15NO/c11-9-5-1-2-6-10-7-3-4-8-10/h3-4,7-8,11H,1-2,5-6,9H2
InChIKeyBOIVZQXPOBOLET-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.65
Rot. Bonds5

About 5-pyrrol-1-ylpentan-1-ol

5-pyrrol-1-ylpentan-1-ol (PubChem CID 63812265) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 5-pyrrol-1-ylpentan-1-ol.

Molecular Properties

Compound Name5-pyrrol-1-ylpentan-1-ol
PubChem CID63812265
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name5-pyrrol-1-ylpentan-1-ol
SMILESOCCCCCn1cccc1
InChIInChI=1S/C9H15NO/c11-9-5-1-2-6-10-7-3-4-8-10/h3-4,7-8,11H,1-2,5-6,9H2
InChIKeyBOIVZQXPOBOLET-UHFFFAOYSA-N
XLogP1.65
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-pyrrol-1-ylpentan-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 5-pyrrol-1-ylpentan-1-ol?
The IUPAC name of 5-pyrrol-1-ylpentan-1-ol (CID 63812265) is 5-pyrrol-1-ylpentan-1-ol.
What is the SMILES notation for 5-pyrrol-1-ylpentan-1-ol?
The canonical SMILES for 5-pyrrol-1-ylpentan-1-ol is OCCCCCn1cccc1.
What is the InChIKey of 5-pyrrol-1-ylpentan-1-ol?
The InChIKey is BOIVZQXPOBOLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-9-5-1-2-6-10-7-3-4-8-10/h3-4,7-8,11H,1-2,5-6,9H2.
What are the key properties of 5-pyrrol-1-ylpentan-1-ol?
5-pyrrol-1-ylpentan-1-ol has a molecular weight of 153.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-ylpentan-1-ol is sourced from PubChem (CID 63812265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).