N-ethylbut-2-enimidoyl cyanide

C7H10N2 — CID 91608759

IUPACN-ethylbut-2-enimidoyl cyanide
SMILESCC=C/C(C#N)=N/CC
InChIInChI=1S/C7H10N2/c1-3-5-7(6-8)9-4-2/h3,5H,4H2,1-2H3/b5-3?,9-7-
InChIKeyCXJUFCBGGIOZDX-JNKYCYOUSA-N
MW122.17 g/mol
LogP1.55
Rot. Bonds2

About N-ethylbut-2-enimidoyl cyanide

N-ethylbut-2-enimidoyl cyanide (PubChem CID 91608759) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N-ethylbut-2-enimidoyl cyanide.

Molecular Properties

Compound NameN-ethylbut-2-enimidoyl cyanide
PubChem CID91608759
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN-ethylbut-2-enimidoyl cyanide
SMILESCC=C/C(C#N)=N/CC
InChIInChI=1S/C7H10N2/c1-3-5-7(6-8)9-4-2/h3,5H,4H2,1-2H3/b5-3?,9-7-
InChIKeyCXJUFCBGGIOZDX-JNKYCYOUSA-N
XLogP1.55
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
6-Methyl-2,3-dihydropyridine
CID 53833017
(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
N-methyl-2H-pyridin-3-imine
CID 70547200
N-(3-pyridylidene)-ethylamine
CID 86750054
(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

Frequently Asked Questions

What is the IUPAC name of N-ethylbut-2-enimidoyl cyanide?
The IUPAC name of N-ethylbut-2-enimidoyl cyanide (CID 91608759) is N-ethylbut-2-enimidoyl cyanide.
What is the SMILES notation for N-ethylbut-2-enimidoyl cyanide?
The canonical SMILES for N-ethylbut-2-enimidoyl cyanide is CC=C/C(C#N)=N/CC.
What is the InChIKey of N-ethylbut-2-enimidoyl cyanide?
The InChIKey is CXJUFCBGGIOZDX-JNKYCYOUSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-5-7(6-8)9-4-2/h3,5H,4H2,1-2H3/b5-3?,9-7-.
What are the key properties of N-ethylbut-2-enimidoyl cyanide?
N-ethylbut-2-enimidoyl cyanide has a molecular weight of 122.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbut-2-enimidoyl cyanide is sourced from PubChem (CID 91608759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).