N-prop-1-en-2-ylprop-2-enimidoyl cyanide

C7H8N2 — CID 143976470

IUPACN-prop-1-en-2-ylprop-2-enimidoyl cyanide
SMILESC=C/C(C#N)=N/C(=C)C
InChIInChI=1S/C7H8N2/c1-4-7(5-8)9-6(2)3/h4H,1-2H2,3H3/b9-7-
InChIKeyJKZVLZPZWHNJSC-CLFYSBASSA-N
MW120.15 g/mol
LogP1.67
Rot. Bonds2

About N-prop-1-en-2-ylprop-2-enimidoyl cyanide

N-prop-1-en-2-ylprop-2-enimidoyl cyanide (PubChem CID 143976470) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is N-prop-1-en-2-ylprop-2-enimidoyl cyanide.

Molecular Properties

Compound NameN-prop-1-en-2-ylprop-2-enimidoyl cyanide
PubChem CID143976470
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC NameN-prop-1-en-2-ylprop-2-enimidoyl cyanide
SMILESC=C/C(C#N)=N/C(=C)C
InChIInChI=1S/C7H8N2/c1-4-7(5-8)9-6(2)3/h4H,1-2H2,3H3/b9-7-
InChIKeyJKZVLZPZWHNJSC-CLFYSBASSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-prop-1-en-2-ylprop-2-enimidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile
CID 143883301
2-(ethylideneamino)prop-2-enenitrile
CID 145493819
buta-1,3-diene;2-methylbuta-1,3-diene;2-methylprop-2-enenitrile
CID 174444514
(2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile
CID 166951005
methyl N-prop-1-en-2-ylprop-2-enimidate
CID 143198222
(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile
CID 143547944
2-ethenyl-4-methylpenta-2,4-dienenitrile
CID 123944173
(2Z)-2-[fluoro-(methylideneamino)methylidene]but-3-enenitrile
CID 143883028
buta-1,3-diene;2-methylprop-2-enenitrile;prop-2-enoic acid
CID 157263560
2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide
CID 145449100
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
CID 142535063
(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine
CID 143876446

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylprop-2-enimidoyl cyanide?
The IUPAC name of N-prop-1-en-2-ylprop-2-enimidoyl cyanide (CID 143976470) is N-prop-1-en-2-ylprop-2-enimidoyl cyanide.
What is the SMILES notation for N-prop-1-en-2-ylprop-2-enimidoyl cyanide?
The canonical SMILES for N-prop-1-en-2-ylprop-2-enimidoyl cyanide is C=C/C(C#N)=N/C(=C)C.
What is the InChIKey of N-prop-1-en-2-ylprop-2-enimidoyl cyanide?
The InChIKey is JKZVLZPZWHNJSC-CLFYSBASSA-N. The full InChI is InChI=1S/C7H8N2/c1-4-7(5-8)9-6(2)3/h4H,1-2H2,3H3/b9-7-.
What are the key properties of N-prop-1-en-2-ylprop-2-enimidoyl cyanide?
N-prop-1-en-2-ylprop-2-enimidoyl cyanide has a molecular weight of 120.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylprop-2-enimidoyl cyanide is sourced from PubChem (CID 143976470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).