3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine

C10H17N — CID 58547042

IUPAC3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine
SMILESC/C=C\C(=C(C)C)C1CNC1
InChIInChI=1S/C10H17N/c1-4-5-10(8(2)3)9-6-11-7-9/h4-5,9,11H,6-7H2,1-3H3/b5-4-
InChIKeyXXUGIKQUXYVTDL-PLNGDYQASA-N
MW151.25 g/mol
LogP2.12
Rot. Bonds2

About 3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine

3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine (PubChem CID 58547042) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine.

Molecular Properties

Compound Name3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine
PubChem CID58547042
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine
SMILESC/C=C\C(=C(C)C)C1CNC1
InChIInChI=1S/C10H17N/c1-4-5-10(8(2)3)9-6-11-7-9/h4-5,9,11H,6-7H2,1-3H3/b5-4-
InChIKeyXXUGIKQUXYVTDL-PLNGDYQASA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.12
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-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine?
The IUPAC name of 3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine (CID 58547042) is 3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine.
What is the SMILES notation for 3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine?
The canonical SMILES for 3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine is C/C=C\C(=C(C)C)C1CNC1.
What is the InChIKey of 3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine?
The InChIKey is XXUGIKQUXYVTDL-PLNGDYQASA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-10(8(2)3)9-6-11-7-9/h4-5,9,11H,6-7H2,1-3H3/b5-4-.
What are the key properties of 3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine?
3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine has a molecular weight of 151.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine is sourced from PubChem (CID 58547042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).