3-pent-4-enylidenepyrrolidine

C9H15N — CID 79880216

IUPAC3-pent-4-enylidenepyrrolidine
SMILESC=CCCC=C1CCNC1
InChIInChI=1S/C9H15N/c1-2-3-4-5-9-6-7-10-8-9/h2,5,10H,1,3-4,6-8H2
InChIKeyDKSVLUMJGWELKQ-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds3

About 3-pent-4-enylidenepyrrolidine

3-pent-4-enylidenepyrrolidine (PubChem CID 79880216) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-pent-4-enylidenepyrrolidine.

Molecular Properties

Compound Name3-pent-4-enylidenepyrrolidine
PubChem CID79880216
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-pent-4-enylidenepyrrolidine
SMILESC=CCCC=C1CCNC1
InChIInChI=1S/C9H15N/c1-2-3-4-5-9-6-7-10-8-9/h2,5,10H,1,3-4,6-8H2
InChIKeyDKSVLUMJGWELKQ-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enylidenepyrrolidine?
The IUPAC name of 3-pent-4-enylidenepyrrolidine (CID 79880216) is 3-pent-4-enylidenepyrrolidine.
What is the SMILES notation for 3-pent-4-enylidenepyrrolidine?
The canonical SMILES for 3-pent-4-enylidenepyrrolidine is C=CCCC=C1CCNC1.
What is the InChIKey of 3-pent-4-enylidenepyrrolidine?
The InChIKey is DKSVLUMJGWELKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-5-9-6-7-10-8-9/h2,5,10H,1,3-4,6-8H2.
What are the key properties of 3-pent-4-enylidenepyrrolidine?
3-pent-4-enylidenepyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enylidenepyrrolidine is sourced from PubChem (CID 79880216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).