N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine

C7H10N2 — CID 143039859

IUPACN-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(/C=C/C)N=C
InChIInChI=1S/C7H10N2/c1-4-5-7(9-3)6-8-2/h4-6H,2-3H2,1H3/b5-4+,7-6-
InChIKeyMCSVPPCDZDRQAI-DEQVHDEQSA-N
MW122.17 g/mol
LogP1.81
Rot. Bonds3

About N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine

N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine (PubChem CID 143039859) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine
PubChem CID143039859
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(/C=C/C)N=C
InChIInChI=1S/C7H10N2/c1-4-5-7(9-3)6-8-2/h4-6H,2-3H2,1H3/b5-4+,7-6-
InChIKeyMCSVPPCDZDRQAI-DEQVHDEQSA-N
XLogP1.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.81
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 N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine (CID 143039859) is N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine is C=N/C=C(/C=C/C)N=C.
What is the InChIKey of N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine?
The InChIKey is MCSVPPCDZDRQAI-DEQVHDEQSA-N. The full InChI is InChI=1S/C7H10N2/c1-4-5-7(9-3)6-8-2/h4-6H,2-3H2,1H3/b5-4+,7-6-.
What are the key properties of N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine?
N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine has a molecular weight of 122.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-2-(methylideneamino)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 143039859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).