1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine

C10H17N — CID 166850589

IUPAC1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine
SMILESC/C=C\C(=C/C)N1CC(C)C1
InChIInChI=1S/C10H17N/c1-4-6-10(5-2)11-7-9(3)8-11/h4-6,9H,7-8H2,1-3H3/b6-4-,10-5+
InChIKeyQPNLOGVQMISKHB-KNVSICBPSA-N
MW151.25 g/mol
LogP2.42
Rot. Bonds2

About 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine

1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine (PubChem CID 166850589) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine
PubChem CID166850589
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine
SMILESC/C=C\C(=C/C)N1CC(C)C1
InChIInChI=1S/C10H17N/c1-4-6-10(5-2)11-7-9(3)8-11/h4-6,9H,7-8H2,1-3H3/b6-4-,10-5+
InChIKeyQPNLOGVQMISKHB-KNVSICBPSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
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 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine (CID 166850589) is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine is C/C=C\C(=C/C)N1CC(C)C1.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine?
The InChIKey is QPNLOGVQMISKHB-KNVSICBPSA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-10(5-2)11-7-9(3)8-11/h4-6,9H,7-8H2,1-3H3/b6-4-,10-5+.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine?
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine has a molecular weight of 151.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylazetidine is sourced from PubChem (CID 166850589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).