(Z)-4-N-methylidenebut-3-ene-2,4-diimine

C5H8N2 — CID 123346394

IUPAC(Z)-4-N-methylidenebut-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C\N=C
InChIInChI=1S/C5H8N2/c1-5(6)3-4-7-2/h3-4,6H,2H2,1H3/b4-3-,6-5+
InChIKeyGYVWANAYHBLUAH-DNVGVPOPSA-N
MW96.13 g/mol
LogP1.24
Rot. Bonds2

About (Z)-4-N-methylidenebut-3-ene-2,4-diimine

(Z)-4-N-methylidenebut-3-ene-2,4-diimine (PubChem CID 123346394) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is (Z)-4-N-methylidenebut-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-4-N-methylidenebut-3-ene-2,4-diimine
PubChem CID123346394
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name(Z)-4-N-methylidenebut-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C\N=C
InChIInChI=1S/C5H8N2/c1-5(6)3-4-7-2/h3-4,6H,2H2,1H3/b4-3-,6-5+
InChIKeyGYVWANAYHBLUAH-DNVGVPOPSA-N
XLogP1.24
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylpyridin-4(1H)-imine hydrobromide
CID 6603238
1-methylpyridin-4(1H)-imine
CID 817189
1-Methylpyridin-4-imine;hydroiodide
CID 45926723
1-ethylpyridin-4(1H)-imine
CID 657409
4-Iminopyridine
CID 21297554
Pyridine-3,4-diimine
CID 22022782
Pyrrol-3-imine
CID 90911343
(Z)-4-N-methylidene-2-N-(2,2,2-trifluoroethyl)but-3-ene-2,4-diimine
CID 130413505
(E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine
CID 135268079
(Z)-1,1,1-trifluoro-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 144204592
(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine
CID 156890367
(Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine
CID 168935654

Frequently Asked Questions

What is the IUPAC name of (Z)-4-N-methylidenebut-3-ene-2,4-diimine?
The IUPAC name of (Z)-4-N-methylidenebut-3-ene-2,4-diimine (CID 123346394) is (Z)-4-N-methylidenebut-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-4-N-methylidenebut-3-ene-2,4-diimine?
The canonical SMILES for (Z)-4-N-methylidenebut-3-ene-2,4-diimine is [H]/N=C(C)/C=C\N=C.
What is the InChIKey of (Z)-4-N-methylidenebut-3-ene-2,4-diimine?
The InChIKey is GYVWANAYHBLUAH-DNVGVPOPSA-N. The full InChI is InChI=1S/C5H8N2/c1-5(6)3-4-7-2/h3-4,6H,2H2,1H3/b4-3-,6-5+.
What are the key properties of (Z)-4-N-methylidenebut-3-ene-2,4-diimine?
(Z)-4-N-methylidenebut-3-ene-2,4-diimine has a molecular weight of 96.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-methylidenebut-3-ene-2,4-diimine is sourced from PubChem (CID 123346394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).