2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide

C8H10N2 — CID 123986951

IUPAC2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide
SMILESC=C(C)/C(C#N)=N/C=CC
InChIInChI=1S/C8H10N2/c1-4-5-10-8(6-9)7(2)3/h4-5H,2H2,1,3H3/b5-4?,10-8+
InChIKeyVDAOPHKUNSGJHA-NRQNFYSXSA-N
MW134.18 g/mol
LogP2.06
Rot. Bonds2

About 2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide

2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide (PubChem CID 123986951) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide.

Molecular Properties

Compound Name2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide
PubChem CID123986951
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide
SMILESC=C(C)/C(C#N)=N/C=CC
InChIInChI=1S/C8H10N2/c1-4-5-10-8(6-9)7(2)3/h4-5H,2H2,1,3H3/b5-4?,10-8+
InChIKeyVDAOPHKUNSGJHA-NRQNFYSXSA-N
XLogP2.06
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide?
The IUPAC name of 2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide (CID 123986951) is 2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide.
What is the SMILES notation for 2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide?
The canonical SMILES for 2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide is C=C(C)/C(C#N)=N/C=CC.
What is the InChIKey of 2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide?
The InChIKey is VDAOPHKUNSGJHA-NRQNFYSXSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-5-10-8(6-9)7(2)3/h4-5H,2H2,1,3H3/b5-4?,10-8+.
What are the key properties of 2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide?
2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide has a molecular weight of 134.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-1-enylprop-2-enimidoyl cyanide is sourced from PubChem (CID 123986951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).