N-methylbut-2-enimidoyl cyanide

C6H8N2 — CID 123780054

IUPACN-methylbut-2-enimidoyl cyanide
SMILESCC=C/C(C#N)=N/C
InChIInChI=1S/C6H8N2/c1-3-4-6(5-7)8-2/h3-4H,1-2H3/b4-3?,8-6-
InChIKeyKYUPWIHXQBKSCR-IURNINFWSA-N
MW108.14 g/mol
LogP1.16
Rot. Bonds1

About N-methylbut-2-enimidoyl cyanide

N-methylbut-2-enimidoyl cyanide (PubChem CID 123780054) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is N-methylbut-2-enimidoyl cyanide.

Molecular Properties

Compound NameN-methylbut-2-enimidoyl cyanide
PubChem CID123780054
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC NameN-methylbut-2-enimidoyl cyanide
SMILESCC=C/C(C#N)=N/C
InChIInChI=1S/C6H8N2/c1-3-4-6(5-7)8-2/h3-4H,1-2H3/b4-3?,8-6-
InChIKeyKYUPWIHXQBKSCR-IURNINFWSA-N
XLogP1.16
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methylbut-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

2-Ethylimino-4-methyl-pent-3-enenitrile
CID 572298
4-Methyliminopent-2-enedinitrile
CID 5368434
N-methylpent-3-en-2-imine
CID 15325554
N-methylcyclohexa-2,5-dien-1-imine
CID 20614487
(Z)-N-methylpent-3-en-2-imine
CID 59451924
(E)-N-methylpent-3-en-2-imine
CID 59927792
(2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile
CID 67991669
(Z)-N-ethylpent-3-en-2-imine
CID 87420267
(Z)-N-methylhex-3-en-2-imine
CID 88993764
6-Methyl-2,3-dihydropyridine-2-carbonitrile
CID 89073533
N-methylocta-1,2,5-trien-4-imine
CID 91100685
N-ethylbut-2-enimidoyl cyanide
CID 91608759

Frequently Asked Questions

What is the IUPAC name of N-methylbut-2-enimidoyl cyanide?
The IUPAC name of N-methylbut-2-enimidoyl cyanide (CID 123780054) is N-methylbut-2-enimidoyl cyanide.
What is the SMILES notation for N-methylbut-2-enimidoyl cyanide?
The canonical SMILES for N-methylbut-2-enimidoyl cyanide is CC=C/C(C#N)=N/C.
What is the InChIKey of N-methylbut-2-enimidoyl cyanide?
The InChIKey is KYUPWIHXQBKSCR-IURNINFWSA-N. The full InChI is InChI=1S/C6H8N2/c1-3-4-6(5-7)8-2/h3-4H,1-2H3/b4-3?,8-6-.
What are the key properties of N-methylbut-2-enimidoyl cyanide?
N-methylbut-2-enimidoyl cyanide has a molecular weight of 108.14 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbut-2-enimidoyl cyanide is sourced from PubChem (CID 123780054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).