(2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine

C13H17N — CID 130368457

IUPAC(2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine
SMILESC=C/C=C(/C=C\C)C(/C=C\C)=N\C=C
InChIInChI=1S/C13H17N/c1-5-9-12(10-6-2)13(11-7-3)14-8-4/h5-11H,1,4H2,2-3H3/b10-6-,11-7-,12-9-,14-13+
InChIKeyDCYZCYYAFCHAGW-UJPIJJTMSA-N
MW187.29 g/mol
LogP3.84
Rot. Bonds5

About (2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine

(2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine (PubChem CID 130368457) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine.

Molecular Properties

Compound Name(2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine
PubChem CID130368457
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine
SMILESC=C/C=C(/C=C\C)C(/C=C\C)=N\C=C
InChIInChI=1S/C13H17N/c1-5-9-12(10-6-2)13(11-7-3)14-8-4/h5-11H,1,4H2,2-3H3/b10-6-,11-7-,12-9-,14-13+
InChIKeyDCYZCYYAFCHAGW-UJPIJJTMSA-N
XLogP3.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine?
The IUPAC name of (2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine (CID 130368457) is (2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine.
What is the SMILES notation for (2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine?
The canonical SMILES for (2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine is C=C/C=C(/C=C\C)C(/C=C\C)=N\C=C.
What is the InChIKey of (2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine?
The InChIKey is DCYZCYYAFCHAGW-UJPIJJTMSA-N. The full InChI is InChI=1S/C13H17N/c1-5-9-12(10-6-2)13(11-7-3)14-8-4/h5-11H,1,4H2,2-3H3/b10-6-,11-7-,12-9-,14-13+.
What are the key properties of (2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine?
(2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine has a molecular weight of 187.29 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-N-ethenyl-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-4-imine is sourced from PubChem (CID 130368457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).