(2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine

C11H15N — CID 129194124

IUPAC(2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine
SMILES[H]/N=C/C(/C=C\CCC=C)=C/C=C
InChIInChI=1S/C11H15N/c1-3-5-6-7-9-11(10-12)8-4-2/h3-4,7-10,12H,1-2,5-6H2/b9-7-,11-8+,12-10+
InChIKeyCJYNWQYSZLYIKZ-LREFDTOFSA-N
MW161.25 g/mol
LogP3.27
Rot. Bonds6

About (2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine

(2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine (PubChem CID 129194124) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine.

Molecular Properties

Compound Name(2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine
PubChem CID129194124
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine
SMILES[H]/N=C/C(/C=C\CCC=C)=C/C=C
InChIInChI=1S/C11H15N/c1-3-5-6-7-9-11(10-12)8-4-2/h3-4,7-10,12H,1-2,5-6H2/b9-7-,11-8+,12-10+
InChIKeyCJYNWQYSZLYIKZ-LREFDTOFSA-N
XLogP3.27
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine?
The IUPAC name of (2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine (CID 129194124) is (2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine.
What is the SMILES notation for (2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine?
The canonical SMILES for (2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine is [H]/N=C/C(/C=C\CCC=C)=C/C=C.
What is the InChIKey of (2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine?
The InChIKey is CJYNWQYSZLYIKZ-LREFDTOFSA-N. The full InChI is InChI=1S/C11H15N/c1-3-5-6-7-9-11(10-12)8-4-2/h3-4,7-10,12H,1-2,5-6H2/b9-7-,11-8+,12-10+.
What are the key properties of (2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine?
(2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine has a molecular weight of 161.25 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine is sourced from PubChem (CID 129194124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).