1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine

C11H16N2 — CID 89094224

IUPAC1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine
SMILESC=C/C=C(C)\N=C\C(=C)/N=C/CC
InChIInChI=1S/C11H16N2/c1-5-7-10(3)13-9-11(4)12-8-6-2/h5,7-9H,1,4,6H2,2-3H3/b10-7-,12-8+,13-9+
InChIKeyHTMALFRYCKFPON-VDUUQVIHSA-N
MW176.26 g/mol
LogP3.14
Rot. Bonds5

About 1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine

1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine (PubChem CID 89094224) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine.

Molecular Properties

Compound Name1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine
PubChem CID89094224
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine
SMILESC=C/C=C(C)\N=C\C(=C)/N=C/CC
InChIInChI=1S/C11H16N2/c1-5-7-10(3)13-9-11(4)12-8-6-2/h5,7-9H,1,4,6H2,2-3H3/b10-7-,12-8+,13-9+
InChIKeyHTMALFRYCKFPON-VDUUQVIHSA-N
XLogP3.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.14
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 1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine?
The IUPAC name of 1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine (CID 89094224) is 1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine.
What is the SMILES notation for 1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine?
The canonical SMILES for 1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine is C=C/C=C(C)\N=C\C(=C)/N=C/CC.
What is the InChIKey of 1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine?
The InChIKey is HTMALFRYCKFPON-VDUUQVIHSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-7-10(3)13-9-11(4)12-8-6-2/h5,7-9H,1,4,6H2,2-3H3/b10-7-,12-8+,13-9+.
What are the key properties of 1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine?
1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine has a molecular weight of 176.26 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine is sourced from PubChem (CID 89094224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).