N-methylpenta-2,4-dienimidoyl cyanide

C7H8N2 — CID 123260837

IUPACN-methylpenta-2,4-dienimidoyl cyanide
SMILESC=CC=C/C(C#N)=N/C
InChIInChI=1S/C7H8N2/c1-3-4-5-7(6-8)9-2/h3-5H,1H2,2H3/b5-4?,9-7-
InChIKeyMDYOFBBQVWAPPJ-HFOWNTLMSA-N
MW120.15 g/mol
LogP1.32
Rot. Bonds2

About N-methylpenta-2,4-dienimidoyl cyanide

N-methylpenta-2,4-dienimidoyl cyanide (PubChem CID 123260837) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is N-methylpenta-2,4-dienimidoyl cyanide.

Molecular Properties

Compound NameN-methylpenta-2,4-dienimidoyl cyanide
PubChem CID123260837
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC NameN-methylpenta-2,4-dienimidoyl cyanide
SMILESC=CC=C/C(C#N)=N/C
InChIInChI=1S/C7H8N2/c1-3-4-5-7(6-8)9-2/h3-5H,1H2,2H3/b5-4?,9-7-
InChIKeyMDYOFBBQVWAPPJ-HFOWNTLMSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-fluoro-N-methylhexa-3,5-dien-2-imine
CID 144596580
(3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine
CID 145298088
4-Methyliminopent-2-enedinitrile
CID 5368434
N-methylcyclohepta-2,4,6-trien-1-imine
CID 12331379
3-(Cyclohexa-2,4-dien-1-ylideneamino)propanenitrile
CID 22077447
(2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile
CID 67991669
(3Z,5Z)-N-methylhepta-3,5-dien-2-imine
CID 89597212
N-methylocta-3,5-dien-2-imine
CID 90686223
(2E,5Z)-N-methylocta-2,5,7-trien-4-imine
CID 91455385
N-methylhexa-3,5-dien-2-imine
CID 91557024
N-ethylbut-2-enimidoyl cyanide
CID 91608759
(1-Cyanobut-2-enylideneamino)-methyl-methylideneazanium
CID 91806915

Frequently Asked Questions

What is the IUPAC name of N-methylpenta-2,4-dienimidoyl cyanide?
The IUPAC name of N-methylpenta-2,4-dienimidoyl cyanide (CID 123260837) is N-methylpenta-2,4-dienimidoyl cyanide.
What is the SMILES notation for N-methylpenta-2,4-dienimidoyl cyanide?
The canonical SMILES for N-methylpenta-2,4-dienimidoyl cyanide is C=CC=C/C(C#N)=N/C.
What is the InChIKey of N-methylpenta-2,4-dienimidoyl cyanide?
The InChIKey is MDYOFBBQVWAPPJ-HFOWNTLMSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-4-5-7(6-8)9-2/h3-5H,1H2,2H3/b5-4?,9-7-.
What are the key properties of N-methylpenta-2,4-dienimidoyl cyanide?
N-methylpenta-2,4-dienimidoyl cyanide has a molecular weight of 120.15 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpenta-2,4-dienimidoyl cyanide is sourced from PubChem (CID 123260837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).