3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine

C10H15N — CID 145430038

IUPAC3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine
SMILESC=C(C)/C=C\C(=C)C1CNC1
InChIInChI=1S/C10H15N/c1-8(2)4-5-9(3)10-6-11-7-10/h4-5,10-11H,1,3,6-7H2,2H3/b5-4-
InChIKeyGZVVJNYCZWIESE-PLNGDYQASA-N
MW149.24 g/mol
LogP1.89
Rot. Bonds3

About 3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine

3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine (PubChem CID 145430038) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine.

Molecular Properties

Compound Name3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine
PubChem CID145430038
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine
SMILESC=C(C)/C=C\C(=C)C1CNC1
InChIInChI=1S/C10H15N/c1-8(2)4-5-9(3)10-6-11-7-10/h4-5,10-11H,1,3,6-7H2,2H3/b5-4-
InChIKeyGZVVJNYCZWIESE-PLNGDYQASA-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-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine?
The IUPAC name of 3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine (CID 145430038) is 3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine.
What is the SMILES notation for 3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine?
The canonical SMILES for 3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine is C=C(C)/C=C\C(=C)C1CNC1.
What is the InChIKey of 3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine?
The InChIKey is GZVVJNYCZWIESE-PLNGDYQASA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)4-5-9(3)10-6-11-7-10/h4-5,10-11H,1,3,6-7H2,2H3/b5-4-.
What are the key properties of 3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine?
3-[(3Z)-5-methylhexa-1,3,5-trien-2-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-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine is sourced from PubChem (CID 145430038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).