(Z)-N,3-dimethylpent-2-enimidoyl cyanide

C8H12N2 — CID 142029984

IUPAC(Z)-N,3-dimethylpent-2-enimidoyl cyanide
SMILESCC/C(C)=C\C(C#N)=N\C
InChIInChI=1S/C8H12N2/c1-4-7(2)5-8(6-9)10-3/h5H,4H2,1-3H3/b7-5-,10-8-
InChIKeyLZKNXIYIOPRLMB-RRMOSLQNSA-N
MW136.20 g/mol
LogP1.94
Rot. Bonds2

About (Z)-N,3-dimethylpent-2-enimidoyl cyanide

(Z)-N,3-dimethylpent-2-enimidoyl cyanide (PubChem CID 142029984) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (Z)-N,3-dimethylpent-2-enimidoyl cyanide.

Molecular Properties

Compound Name(Z)-N,3-dimethylpent-2-enimidoyl cyanide
PubChem CID142029984
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(Z)-N,3-dimethylpent-2-enimidoyl cyanide
SMILESCC/C(C)=C\C(C#N)=N\C
InChIInChI=1S/C8H12N2/c1-4-7(2)5-8(6-9)10-3/h5H,4H2,1-3H3/b7-5-,10-8-
InChIKeyLZKNXIYIOPRLMB-RRMOSLQNSA-N
XLogP1.94
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.94
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

(Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile
CID 123821610
2-Ethylimino-4-methyl-pent-3-enenitrile
CID 572298
N,4-dimethylpent-3-en-2-imine
CID 20725565
5,6-Dimethyl-2,3-dihydropyridine-3-carbonitrile
CID 69510804
(E)-N,4-dimethylhex-3-en-2-imine
CID 89965377
N,4-dimethylhex-3-en-2-imine
CID 91494846
N-ethylbut-2-enimidoyl cyanide
CID 91608759
(E)-2-ethenyl-4-methyliminopent-2-enenitrile
CID 117783478
(Z)-2-methylidene-5-methyliminohex-3-enenitrile
CID 117783479
N-ethyl-4-methylpent-3-en-2-imine
CID 122468271
N-(2-methylpropyl)but-2-enimidoyl cyanide
CID 123165582
N,3-dimethylhepta-3,6-dien-2-imine
CID 123241993

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethylpent-2-enimidoyl cyanide?
The IUPAC name of (Z)-N,3-dimethylpent-2-enimidoyl cyanide (CID 142029984) is (Z)-N,3-dimethylpent-2-enimidoyl cyanide.
What is the SMILES notation for (Z)-N,3-dimethylpent-2-enimidoyl cyanide?
The canonical SMILES for (Z)-N,3-dimethylpent-2-enimidoyl cyanide is CC/C(C)=C\C(C#N)=N\C.
What is the InChIKey of (Z)-N,3-dimethylpent-2-enimidoyl cyanide?
The InChIKey is LZKNXIYIOPRLMB-RRMOSLQNSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-7(2)5-8(6-9)10-3/h5H,4H2,1-3H3/b7-5-,10-8-.
What are the key properties of (Z)-N,3-dimethylpent-2-enimidoyl cyanide?
(Z)-N,3-dimethylpent-2-enimidoyl cyanide has a molecular weight of 136.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethylpent-2-enimidoyl cyanide is sourced from PubChem (CID 142029984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).