3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine

C10H15N — CID 157035974

IUPAC3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine
SMILESC=C/C=C\C(=C/C)C1CNC1
InChIInChI=1S/C10H15N/c1-3-5-6-9(4-2)10-7-11-8-10/h3-6,10-11H,1,7-8H2,2H3/b6-5-,9-4+
InChIKeyAMBWDXJUJSIKIM-CXBDEZGUSA-N
MW149.24 g/mol
LogP1.89
Rot. Bonds3

About 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine

3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine (PubChem CID 157035974) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine.

Molecular Properties

Compound Name3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine
PubChem CID157035974
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine
SMILESC=C/C=C\C(=C/C)C1CNC1
InChIInChI=1S/C10H15N/c1-3-5-6-9(4-2)10-7-11-8-10/h3-6,10-11H,1,7-8H2,2H3/b6-5-,9-4+
InChIKeyAMBWDXJUJSIKIM-CXBDEZGUSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine?
The IUPAC name of 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine (CID 157035974) is 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine.
What is the SMILES notation for 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine?
The canonical SMILES for 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine is C=C/C=C\C(=C/C)C1CNC1.
What is the InChIKey of 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine?
The InChIKey is AMBWDXJUJSIKIM-CXBDEZGUSA-N. The full InChI is InChI=1S/C10H15N/c1-3-5-6-9(4-2)10-7-11-8-10/h3-6,10-11H,1,7-8H2,2H3/b6-5-,9-4+.
What are the key properties of 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine?
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine has a molecular weight of 149.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine is sourced from PubChem (CID 157035974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).