(Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride

C8H11ClN2 — CID 155317184

IUPAC(Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(C)\C=N\C(=C)C
InChIInChI=1S/C8H11ClN2/c1-6(2)11-5-7(3)4-8(9)10/h4-5,10H,1H2,2-3H3/b7-4-,10-8-,11-5+
InChIKeyCPJGLZDLRYDUJS-PYEHQVICSA-N
MW170.64 g/mol
LogP2.75
Rot. Bonds3

About (Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride

(Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride (PubChem CID 155317184) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is (Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride
PubChem CID155317184
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name(Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(C)\C=N\C(=C)C
InChIInChI=1S/C8H11ClN2/c1-6(2)11-5-7(3)4-8(9)10/h4-5,10H,1H2,2-3H3/b7-4-,10-8-,11-5+
InChIKeyCPJGLZDLRYDUJS-PYEHQVICSA-N
XLogP2.75
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.75
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

(E)-3-methyl-4-oxobut-2-enimidoyl chloride
CID 138622786
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
(E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride
CID 169052382
3-methyl-2-methylidene-N-prop-1-en-2-ylbut-3-en-1-imine
CID 143965709
(E)-3-chloro-3-(propan-2-ylamino)prop-2-enimidoyl chloride
CID 174334992
(E)-3-chloro-3-(ethylamino)prop-2-enimidoyl chloride
CID 167092173
N-[3-(ethanimidoyliminomethyl)buta-1,3-dien-2-yl]-N'-methylcarbamimidoyl chloride
CID 123355335
4-oxopent-2-enimidoyl chloride
CID 123619964
(E)-2-aminobut-2-enediimidoyl dichloride
CID 137295960
(Z)-4-N-ethylidenepent-3-ene-2,4-diimine
CID 154517180
ethene;N-ethylideneethanimidamide;niobium
CID 178051970
(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 89209949

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride?
The IUPAC name of (Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride (CID 155317184) is (Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride.
What is the SMILES notation for (Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride?
The canonical SMILES for (Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride is [H]/N=C(Cl)/C=C(C)\C=N\C(=C)C.
What is the InChIKey of (Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride?
The InChIKey is CPJGLZDLRYDUJS-PYEHQVICSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-6(2)11-5-7(3)4-8(9)10/h4-5,10H,1H2,2-3H3/b7-4-,10-8-,11-5+.
What are the key properties of (Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride?
(Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride has a molecular weight of 170.64 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride is sourced from PubChem (CID 155317184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).