(Z)-2-ethyl-4-iminobut-2-enimidoyl chloride

C6H9ClN2 — CID 170214305

IUPAC(Z)-2-ethyl-4-iminobut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(=C\C=N\[H])CC
InChIInChI=1S/C6H9ClN2/c1-2-5(3-4-8)6(7)9/h3-4,8-9H,2H2,1H3/b5-3-,8-4+,9-6-
InChIKeyBMMWURGHTRTKPX-QJPLNOJDSA-N
MW144.61 g/mol
LogP2.19
Rot. Bonds3

About (Z)-2-ethyl-4-iminobut-2-enimidoyl chloride

(Z)-2-ethyl-4-iminobut-2-enimidoyl chloride (PubChem CID 170214305) has the molecular formula C6H9ClN2 and a molecular weight of 144.61 g/mol. Its IUPAC name is (Z)-2-ethyl-4-iminobut-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-2-ethyl-4-iminobut-2-enimidoyl chloride
PubChem CID170214305
Molecular FormulaC6H9ClN2
Molecular Weight144.61 g/mol
Exact Mass144.05
IUPAC Name(Z)-2-ethyl-4-iminobut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(=C\C=N\[H])CC
InChIInChI=1S/C6H9ClN2/c1-2-5(3-4-8)6(7)9/h3-4,8-9H,2H2,1H3/b5-3-,8-4+,9-6-
InChIKeyBMMWURGHTRTKPX-QJPLNOJDSA-N
XLogP2.19
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.61
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane
CID 143467837
(Z)-5-imino-6,6-dimethyloct-3-en-3-amine
CID 165143010
(E)-3-propan-2-yloct-2-en-1-imine
CID 166687448
(2Z,4E)-1-iminohepta-2,4-dien-3-amine
CID 155149105
N-methanimidoylpropanimidoyl chloride
CID 146526753
4-ethylhexa-2,3-dien-1-imine
CID 20549625
4-ethylhept-4-en-3-imine
CID 15439670
(2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane
CID 143747479
(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride
CID 138494935
(E)-5-imino-3-methylpent-3-en-2-one
CID 90907601
ethane;(Z)-2-methylbut-2-ene-1,4-diimine
CID 142083351
3-butyl-4-methylhepta-2,6-dien-1-imine
CID 123647408

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-4-iminobut-2-enimidoyl chloride?
The IUPAC name of (Z)-2-ethyl-4-iminobut-2-enimidoyl chloride (CID 170214305) is (Z)-2-ethyl-4-iminobut-2-enimidoyl chloride.
What is the SMILES notation for (Z)-2-ethyl-4-iminobut-2-enimidoyl chloride?
The canonical SMILES for (Z)-2-ethyl-4-iminobut-2-enimidoyl chloride is [H]/N=C(Cl)/C(=C\C=N\[H])CC.
What is the InChIKey of (Z)-2-ethyl-4-iminobut-2-enimidoyl chloride?
The InChIKey is BMMWURGHTRTKPX-QJPLNOJDSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-2-5(3-4-8)6(7)9/h3-4,8-9H,2H2,1H3/b5-3-,8-4+,9-6-.
What are the key properties of (Z)-2-ethyl-4-iminobut-2-enimidoyl chloride?
(Z)-2-ethyl-4-iminobut-2-enimidoyl chloride has a molecular weight of 144.61 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-4-iminobut-2-enimidoyl chloride is sourced from PubChem (CID 170214305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).