(2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine

C15H19N — CID 130314944

IUPAC(2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine
SMILESC=C/C=C\C(=C/C=C)C(/C=C\C)=N\C=C/C
InChIInChI=1S/C15H19N/c1-5-9-12-14(10-6-2)15(11-7-3)16-13-8-4/h5-13H,1-2H2,3-4H3/b11-7-,12-9-,13-8-,14-10+,16-15-
InChIKeyNYICDYLNDLFRJP-JYABXAKVSA-N
MW213.32 g/mol
LogP4.39
Rot. Bonds6

About (2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine

(2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine (PubChem CID 130314944) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine.

Molecular Properties

Compound Name(2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine
PubChem CID130314944
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine
SMILESC=C/C=C\C(=C/C=C)C(/C=C\C)=N\C=C/C
InChIInChI=1S/C15H19N/c1-5-9-12-14(10-6-2)15(11-7-3)16-13-8-4/h5-13H,1-2H2,3-4H3/b11-7-,12-9-,13-8-,14-10+,16-15-
InChIKeyNYICDYLNDLFRJP-JYABXAKVSA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.39
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,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine?
The IUPAC name of (2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine (CID 130314944) is (2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine.
What is the SMILES notation for (2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine?
The canonical SMILES for (2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine is C=C/C=C\C(=C/C=C)C(/C=C\C)=N\C=C/C.
What is the InChIKey of (2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine?
The InChIKey is NYICDYLNDLFRJP-JYABXAKVSA-N. The full InChI is InChI=1S/C15H19N/c1-5-9-12-14(10-6-2)15(11-7-3)16-13-8-4/h5-13H,1-2H2,3-4H3/b11-7-,12-9-,13-8-,14-10+,16-15-.
What are the key properties of (2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine?
(2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine has a molecular weight of 213.32 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,6Z)-N-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-2,6,8-trien-4-imine is sourced from PubChem (CID 130314944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).