1-[(E)-hept-2-enyl]pyrrolidine

C11H21N — CID 87507896

IUPAC1-[(E)-hept-2-enyl]pyrrolidine
SMILESCCCC/C=C/CN1CCCC1
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-9-12-10-7-8-11-12/h5-6H,2-4,7-11H2,1H3/b6-5+
InChIKeyDNNOAJJASGHTIF-AATRIKPKSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds5

About 1-[(E)-hept-2-enyl]pyrrolidine

1-[(E)-hept-2-enyl]pyrrolidine (PubChem CID 87507896) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-[(E)-hept-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-hept-2-enyl]pyrrolidine
PubChem CID87507896
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-[(E)-hept-2-enyl]pyrrolidine
SMILESCCCC/C=C/CN1CCCC1
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-9-12-10-7-8-11-12/h5-6H,2-4,7-11H2,1H3/b6-5+
InChIKeyDNNOAJJASGHTIF-AATRIKPKSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(E)-hept-2-enyl]pyrrolidine 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-[(E)-hept-2-enyl]pyrrolidine?
The IUPAC name of 1-[(E)-hept-2-enyl]pyrrolidine (CID 87507896) is 1-[(E)-hept-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-hept-2-enyl]pyrrolidine?
The canonical SMILES for 1-[(E)-hept-2-enyl]pyrrolidine is CCCC/C=C/CN1CCCC1.
What is the InChIKey of 1-[(E)-hept-2-enyl]pyrrolidine?
The InChIKey is DNNOAJJASGHTIF-AATRIKPKSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-5-6-9-12-10-7-8-11-12/h5-6H,2-4,7-11H2,1H3/b6-5+.
What are the key properties of 1-[(E)-hept-2-enyl]pyrrolidine?
1-[(E)-hept-2-enyl]pyrrolidine 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-[(E)-hept-2-enyl]pyrrolidine is sourced from PubChem (CID 87507896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).