1-hept-1-en-3-ylpyrrolidine

C11H21N — CID 68589014

IUPAC1-hept-1-en-3-ylpyrrolidine
SMILESC=CC(CCCC)N1CCCC1
InChIInChI=1S/C11H21N/c1-3-5-8-11(4-2)12-9-6-7-10-12/h4,11H,2-3,5-10H2,1H3
InChIKeyPIMCPNSQCDJWNX-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds5

About 1-hept-1-en-3-ylpyrrolidine

1-hept-1-en-3-ylpyrrolidine (PubChem CID 68589014) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-hept-1-en-3-ylpyrrolidine.

Molecular Properties

Compound Name1-hept-1-en-3-ylpyrrolidine
PubChem CID68589014
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-hept-1-en-3-ylpyrrolidine
SMILESC=CC(CCCC)N1CCCC1
InChIInChI=1S/C11H21N/c1-3-5-8-11(4-2)12-9-6-7-10-12/h4,11H,2-3,5-10H2,1H3
InChIKeyPIMCPNSQCDJWNX-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-hept-1-en-3-ylpyrrolidine 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 1-hept-1-en-3-ylpyrrolidine?
The IUPAC name of 1-hept-1-en-3-ylpyrrolidine (CID 68589014) is 1-hept-1-en-3-ylpyrrolidine.
What is the SMILES notation for 1-hept-1-en-3-ylpyrrolidine?
The canonical SMILES for 1-hept-1-en-3-ylpyrrolidine is C=CC(CCCC)N1CCCC1.
What is the InChIKey of 1-hept-1-en-3-ylpyrrolidine?
The InChIKey is PIMCPNSQCDJWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-5-8-11(4-2)12-9-6-7-10-12/h4,11H,2-3,5-10H2,1H3.
What are the key properties of 1-hept-1-en-3-ylpyrrolidine?
1-hept-1-en-3-ylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-1-en-3-ylpyrrolidine is sourced from PubChem (CID 68589014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).