1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine

C16H25NO — CID 170103021

IUPAC1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine
SMILESC=C/C=C(C)\C(=C/C)OC1CN(C2CCCC2)C1
InChIInChI=1S/C16H25NO/c1-4-8-13(3)16(5-2)18-15-11-17(12-15)14-9-6-7-10-14/h4-5,8,14-15H,1,6-7,9-12H2,2-3H3/b13-8-,16-5+
InChIKeyWVLWOPADIVZPHF-KFCJPTFJSA-N
MW247.38 g/mol
LogP3.67
Rot. Bonds5

About 1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine

1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine (PubChem CID 170103021) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine
PubChem CID170103021
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine
SMILESC=C/C=C(C)\C(=C/C)OC1CN(C2CCCC2)C1
InChIInChI=1S/C16H25NO/c1-4-8-13(3)16(5-2)18-15-11-17(12-15)14-9-6-7-10-14/h4-5,8,14-15H,1,6-7,9-12H2,2-3H3/b13-8-,16-5+
InChIKeyWVLWOPADIVZPHF-KFCJPTFJSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine 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-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine?
The IUPAC name of 1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine (CID 170103021) is 1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine.
What is the SMILES notation for 1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine?
The canonical SMILES for 1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine is C=C/C=C(C)\C(=C/C)OC1CN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine?
The InChIKey is WVLWOPADIVZPHF-KFCJPTFJSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-8-13(3)16(5-2)18-15-11-17(12-15)14-9-6-7-10-14/h4-5,8,14-15H,1,6-7,9-12H2,2-3H3/b13-8-,16-5+.
What are the key properties of 1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine?
1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine has a molecular weight of 247.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]oxyazetidine is sourced from PubChem (CID 170103021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).