5-pent-4-enyl-3,4-dihydro-2H-pyrrole

C9H15N — CID 15105256

IUPAC5-pent-4-enyl-3,4-dihydro-2H-pyrrole
SMILESC=CCCCC1=NCCC1
InChIInChI=1S/C9H15N/c1-2-3-4-6-9-7-5-8-10-9/h2H,1,3-8H2
InChIKeyWJKSAHDESXEIBH-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds4

About 5-pent-4-enyl-3,4-dihydro-2H-pyrrole

5-pent-4-enyl-3,4-dihydro-2H-pyrrole (PubChem CID 15105256) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-pent-4-enyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-pent-4-enyl-3,4-dihydro-2H-pyrrole
PubChem CID15105256
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-pent-4-enyl-3,4-dihydro-2H-pyrrole
SMILESC=CCCCC1=NCCC1
InChIInChI=1S/C9H15N/c1-2-3-4-6-9-7-5-8-10-9/h2H,1,3-8H2
InChIKeyWJKSAHDESXEIBH-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-pent-4-enyl-3,4-dihydro-2H-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 5-pent-4-enyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-pent-4-enyl-3,4-dihydro-2H-pyrrole (CID 15105256) is 5-pent-4-enyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-pent-4-enyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-pent-4-enyl-3,4-dihydro-2H-pyrrole is C=CCCCC1=NCCC1.
What is the InChIKey of 5-pent-4-enyl-3,4-dihydro-2H-pyrrole?
The InChIKey is WJKSAHDESXEIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-6-9-7-5-8-10-9/h2H,1,3-8H2.
What are the key properties of 5-pent-4-enyl-3,4-dihydro-2H-pyrrole?
5-pent-4-enyl-3,4-dihydro-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-4-enyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 15105256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).