8-(1H-pyrrol-2-yl)octan-1-ol

C12H21NO — CID 90953479

IUPAC8-(1H-pyrrol-2-yl)octan-1-ol
SMILESOCCCCCCCCc1ccc[nH]1
InChIInChI=1S/C12H21NO/c14-11-6-4-2-1-3-5-8-12-9-7-10-13-12/h7,9-10,13-14H,1-6,8,11H2
InChIKeyMNSVOLSKTUEIDP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.89
Rot. Bonds8

About 8-(1H-pyrrol-2-yl)octan-1-ol

8-(1H-pyrrol-2-yl)octan-1-ol (PubChem CID 90953479) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 8-(1H-pyrrol-2-yl)octan-1-ol.

Molecular Properties

Compound Name8-(1H-pyrrol-2-yl)octan-1-ol
PubChem CID90953479
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name8-(1H-pyrrol-2-yl)octan-1-ol
SMILESOCCCCCCCCc1ccc[nH]1
InChIInChI=1S/C12H21NO/c14-11-6-4-2-1-3-5-8-12-9-7-10-13-12/h7,9-10,13-14H,1-6,8,11H2
InChIKeyMNSVOLSKTUEIDP-UHFFFAOYSA-N
XLogP2.89
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-(1H-pyrrol-2-yl)octan-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 8-(1H-pyrrol-2-yl)octan-1-ol?
The IUPAC name of 8-(1H-pyrrol-2-yl)octan-1-ol (CID 90953479) is 8-(1H-pyrrol-2-yl)octan-1-ol.
What is the SMILES notation for 8-(1H-pyrrol-2-yl)octan-1-ol?
The canonical SMILES for 8-(1H-pyrrol-2-yl)octan-1-ol is OCCCCCCCCc1ccc[nH]1.
What is the InChIKey of 8-(1H-pyrrol-2-yl)octan-1-ol?
The InChIKey is MNSVOLSKTUEIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-11-6-4-2-1-3-5-8-12-9-7-10-13-12/h7,9-10,13-14H,1-6,8,11H2.
What are the key properties of 8-(1H-pyrrol-2-yl)octan-1-ol?
8-(1H-pyrrol-2-yl)octan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-pyrrol-2-yl)octan-1-ol is sourced from PubChem (CID 90953479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).