(2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine

C14H18N2 — CID 137490010

IUPAC(2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine
SMILESC=C/N=C/C/N=C/C=C\C(=C)/C=C\C=C\C
InChIInChI=1S/C14H18N2/c1-4-6-7-9-14(3)10-8-11-16-13-12-15-5-2/h4-12H,2-3,13H2,1H3/b6-4+,9-7-,10-8-,15-12+,16-11+
InChIKeyMAKDWUMMJQTKRT-JOJUHJMUSA-N
MW214.31 g/mol
LogP3.52
Rot. Bonds7

About (2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine

(2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine (PubChem CID 137490010) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine.

Molecular Properties

Compound Name(2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine
PubChem CID137490010
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine
SMILESC=C/N=C/C/N=C/C=C\C(=C)/C=C\C=C\C
InChIInChI=1S/C14H18N2/c1-4-6-7-9-14(3)10-8-11-16-13-12-15-5-2/h4-12H,2-3,13H2,1H3/b6-4+,9-7-,10-8-,15-12+,16-11+
InChIKeyMAKDWUMMJQTKRT-JOJUHJMUSA-N
XLogP3.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine?
The IUPAC name of (2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine (CID 137490010) is (2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine.
What is the SMILES notation for (2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine?
The canonical SMILES for (2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine is C=C/N=C/C/N=C/C=C\C(=C)/C=C\C=C\C.
What is the InChIKey of (2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine?
The InChIKey is MAKDWUMMJQTKRT-JOJUHJMUSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-6-7-9-14(3)10-8-11-16-13-12-15-5-2/h4-12H,2-3,13H2,1H3/b6-4+,9-7-,10-8-,15-12+,16-11+.
What are the key properties of (2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine?
(2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine has a molecular weight of 214.31 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine is sourced from PubChem (CID 137490010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).