3-pentyl-2,3-dihydro-1H-pyrrole

C9H17N — CID 66963088

IUPAC3-pentyl-2,3-dihydro-1H-pyrrole
SMILESCCCCCC1C=CNC1
InChIInChI=1S/C9H17N/c1-2-3-4-5-9-6-7-10-8-9/h6-7,9-10H,2-5,8H2,1H3
InChIKeyZMCFHQMIPVWASY-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.30
Rot. Bonds4

About 3-pentyl-2,3-dihydro-1H-pyrrole

3-pentyl-2,3-dihydro-1H-pyrrole (PubChem CID 66963088) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-pentyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-pentyl-2,3-dihydro-1H-pyrrole
PubChem CID66963088
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-pentyl-2,3-dihydro-1H-pyrrole
SMILESCCCCCC1C=CNC1
InChIInChI=1S/C9H17N/c1-2-3-4-5-9-6-7-10-8-9/h6-7,9-10H,2-5,8H2,1H3
InChIKeyZMCFHQMIPVWASY-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-pentyl-2,3-dihydro-1H-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 3-pentyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 3-pentyl-2,3-dihydro-1H-pyrrole (CID 66963088) is 3-pentyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3-pentyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3-pentyl-2,3-dihydro-1H-pyrrole is CCCCCC1C=CNC1.
What is the InChIKey of 3-pentyl-2,3-dihydro-1H-pyrrole?
The InChIKey is ZMCFHQMIPVWASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-4-5-9-6-7-10-8-9/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 3-pentyl-2,3-dihydro-1H-pyrrole?
3-pentyl-2,3-dihydro-1H-pyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 66963088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).