1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine

C17H26ClNO — CID 118058044

IUPAC1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine
SMILESC=C/C=C(\C=C(\Cl)COC1CC1)CCCN1CCCC1
InChIInChI=1S/C17H26ClNO/c1-2-6-15(7-5-12-19-10-3-4-11-19)13-16(18)14-20-17-8-9-17/h2,6,13,17H,1,3-5,7-12,14H2/b15-6-,16-13+
InChIKeyDWYXUNRYBIWINV-CHQHTEKXSA-N
MW295.85 g/mol
LogP4.28
Rot. Bonds9

About 1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine

1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine (PubChem CID 118058044) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine
PubChem CID118058044
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine
SMILESC=C/C=C(\C=C(\Cl)COC1CC1)CCCN1CCCC1
InChIInChI=1S/C17H26ClNO/c1-2-6-15(7-5-12-19-10-3-4-11-19)13-16(18)14-20-17-8-9-17/h2,6,13,17H,1,3-5,7-12,14H2/b15-6-,16-13+
InChIKeyDWYXUNRYBIWINV-CHQHTEKXSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]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-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine?
The IUPAC name of 1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine (CID 118058044) is 1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine?
The canonical SMILES for 1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine is C=C/C=C(\C=C(\Cl)COC1CC1)CCCN1CCCC1.
What is the InChIKey of 1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine?
The InChIKey is DWYXUNRYBIWINV-CHQHTEKXSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-2-6-15(7-5-12-19-10-3-4-11-19)13-16(18)14-20-17-8-9-17/h2,6,13,17H,1,3-5,7-12,14H2/b15-6-,16-13+.
What are the key properties of 1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine?
1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine has a molecular weight of 295.85 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine is sourced from PubChem (CID 118058044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).