(Z)-2-methylidenepent-3-enimidoyl cyanide

C7H8N2 — CID 129172007

IUPAC(Z)-2-methylidenepent-3-enimidoyl cyanide
SMILES[H]/N=C(\C#N)C(=C)/C=C\C
InChIInChI=1S/C7H8N2/c1-3-4-6(2)7(9)5-8/h3-4,9H,2H2,1H3/b4-3-,9-7+
InChIKeyPUFMFUNZJKTEMG-GAWLIRPZSA-N
MW120.15 g/mol
LogP1.66
Rot. Bonds2

About (Z)-2-methylidenepent-3-enimidoyl cyanide

(Z)-2-methylidenepent-3-enimidoyl cyanide (PubChem CID 129172007) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (Z)-2-methylidenepent-3-enimidoyl cyanide.

Molecular Properties

Compound Name(Z)-2-methylidenepent-3-enimidoyl cyanide
PubChem CID129172007
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(Z)-2-methylidenepent-3-enimidoyl cyanide
SMILES[H]/N=C(\C#N)C(=C)/C=C\C
InChIInChI=1S/C7H8N2/c1-3-4-6(2)7(9)5-8/h3-4,9H,2H2,1H3/b4-3-,9-7+
InChIKeyPUFMFUNZJKTEMG-GAWLIRPZSA-N
XLogP1.66
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.66
H-Bond Donors ≤ 51
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 (Z)-2-methylidenepent-3-enimidoyl cyanide?
The IUPAC name of (Z)-2-methylidenepent-3-enimidoyl cyanide (CID 129172007) is (Z)-2-methylidenepent-3-enimidoyl cyanide.
What is the SMILES notation for (Z)-2-methylidenepent-3-enimidoyl cyanide?
The canonical SMILES for (Z)-2-methylidenepent-3-enimidoyl cyanide is [H]/N=C(\C#N)C(=C)/C=C\C.
What is the InChIKey of (Z)-2-methylidenepent-3-enimidoyl cyanide?
The InChIKey is PUFMFUNZJKTEMG-GAWLIRPZSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-4-6(2)7(9)5-8/h3-4,9H,2H2,1H3/b4-3-,9-7+.
What are the key properties of (Z)-2-methylidenepent-3-enimidoyl cyanide?
(Z)-2-methylidenepent-3-enimidoyl cyanide has a molecular weight of 120.15 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylidenepent-3-enimidoyl cyanide is sourced from PubChem (CID 129172007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).