(2Z)-N-methylpenta-2,4-dienimidoyl cyanide

C7H8N2 — CID 166982030

IUPAC(2Z)-N-methylpenta-2,4-dienimidoyl cyanide
SMILESC=C/C=C\C(C#N)=N\C
InChIInChI=1S/C7H8N2/c1-3-4-5-7(6-8)9-2/h3-5H,1H2,2H3/b5-4-,9-7-
InChIKeyMDYOFBBQVWAPPJ-PHSHQRSZSA-N
MW120.15 g/mol
LogP1.32
Rot. Bonds2

About (2Z)-N-methylpenta-2,4-dienimidoyl cyanide

(2Z)-N-methylpenta-2,4-dienimidoyl cyanide (PubChem CID 166982030) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (2Z)-N-methylpenta-2,4-dienimidoyl cyanide.

Molecular Properties

Compound Name(2Z)-N-methylpenta-2,4-dienimidoyl cyanide
PubChem CID166982030
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(2Z)-N-methylpenta-2,4-dienimidoyl cyanide
SMILESC=C/C=C\C(C#N)=N\C
InChIInChI=1S/C7H8N2/c1-3-4-5-7(6-8)9-2/h3-5H,1H2,2H3/b5-4-,9-7-
InChIKeyMDYOFBBQVWAPPJ-PHSHQRSZSA-N
XLogP1.32
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.32
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)-N-methylpenta-2,4-dienimidoyl cyanide?
The IUPAC name of (2Z)-N-methylpenta-2,4-dienimidoyl cyanide (CID 166982030) is (2Z)-N-methylpenta-2,4-dienimidoyl cyanide.
What is the SMILES notation for (2Z)-N-methylpenta-2,4-dienimidoyl cyanide?
The canonical SMILES for (2Z)-N-methylpenta-2,4-dienimidoyl cyanide is C=C/C=C\C(C#N)=N\C.
What is the InChIKey of (2Z)-N-methylpenta-2,4-dienimidoyl cyanide?
The InChIKey is MDYOFBBQVWAPPJ-PHSHQRSZSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-4-5-7(6-8)9-2/h3-5H,1H2,2H3/b5-4-,9-7-.
What are the key properties of (2Z)-N-methylpenta-2,4-dienimidoyl cyanide?
(2Z)-N-methylpenta-2,4-dienimidoyl cyanide has a molecular weight of 120.15 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methylpenta-2,4-dienimidoyl cyanide is sourced from PubChem (CID 166982030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).