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

C9H12N2 — CID 130351407

IUPACN-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
SMILESC=C/C(=C/N=C)C(=CC)N=C
InChIInChI=1S/C9H12N2/c1-5-8(7-10-3)9(6-2)11-4/h5-7H,1,3-4H2,2H3/b8-7-,9-6+
InChIKeyCWGYPKINTJWLTE-SOKJVCRVSA-N
MW148.21 g/mol
LogP2.36
Rot. Bonds4

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

N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine (PubChem CID 130351407) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
PubChem CID130351407
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
SMILESC=C/C(=C/N=C)C(=CC)N=C
InChIInChI=1S/C9H12N2/c1-5-8(7-10-3)9(6-2)11-4/h5-7H,1,3-4H2,2H3/b8-7-,9-6+
InChIKeyCWGYPKINTJWLTE-SOKJVCRVSA-N
XLogP2.36
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.36
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-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine (CID 130351407) is N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine is C=C/C(=C/N=C)C(=CC)N=C.
What is the InChIKey of N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine?
The InChIKey is CWGYPKINTJWLTE-SOKJVCRVSA-N. The full InChI is InChI=1S/C9H12N2/c1-5-8(7-10-3)9(6-2)11-4/h5-7H,1,3-4H2,2H3/b8-7-,9-6+.
What are the key properties of N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine?
N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine has a molecular weight of 148.21 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 130351407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).