1-[(Z)-oct-1-enyl]pyrrolidine

C12H23N — CID 13409150

IUPAC1-[(Z)-oct-1-enyl]pyrrolidine
SMILESCCCCCC/C=C\N1CCCC1
InChIInChI=1S/C12H23N/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h7,10H,2-6,8-9,11-12H2,1H3/b10-7-
InChIKeyNXALTWDMILBHGT-YFHOEESVSA-N
MW181.32 g/mol
LogP3.57
Rot. Bonds6

About 1-[(Z)-oct-1-enyl]pyrrolidine

1-[(Z)-oct-1-enyl]pyrrolidine (PubChem CID 13409150) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-[(Z)-oct-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-oct-1-enyl]pyrrolidine
PubChem CID13409150
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-[(Z)-oct-1-enyl]pyrrolidine
SMILESCCCCCC/C=C\N1CCCC1
InChIInChI=1S/C12H23N/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h7,10H,2-6,8-9,11-12H2,1H3/b10-7-
InChIKeyNXALTWDMILBHGT-YFHOEESVSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(Z)-oct-1-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-[(Z)-oct-1-enyl]pyrrolidine?
The IUPAC name of 1-[(Z)-oct-1-enyl]pyrrolidine (CID 13409150) is 1-[(Z)-oct-1-enyl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-oct-1-enyl]pyrrolidine?
The canonical SMILES for 1-[(Z)-oct-1-enyl]pyrrolidine is CCCCCC/C=C\N1CCCC1.
What is the InChIKey of 1-[(Z)-oct-1-enyl]pyrrolidine?
The InChIKey is NXALTWDMILBHGT-YFHOEESVSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h7,10H,2-6,8-9,11-12H2,1H3/b10-7-.
What are the key properties of 1-[(Z)-oct-1-enyl]pyrrolidine?
1-[(Z)-oct-1-enyl]pyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-oct-1-enyl]pyrrolidine is sourced from PubChem (CID 13409150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).