(NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride

C5H7ClN2 — CID 167110233

IUPAC(NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride
SMILESC=C/C(Cl)=N\N=C/C
InChIInChI=1S/C5H7ClN2/c1-3-5(6)8-7-4-2/h3-4H,1H2,2H3/b7-4-,8-5+
InChIKeyWITKCVKVWYZVJS-DKBJKEKUSA-N
MW130.58 g/mol
LogP1.82
Rot. Bonds2

About (NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride

(NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride (PubChem CID 167110233) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is (NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride.

Molecular Properties

Compound Name(NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride
PubChem CID167110233
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name(NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride
SMILESC=C/C(Cl)=N\N=C/C
InChIInChI=1S/C5H7ClN2/c1-3-5(6)8-7-4-2/h3-4H,1H2,2H3/b7-4-,8-5+
InChIKeyWITKCVKVWYZVJS-DKBJKEKUSA-N
XLogP1.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(Z)-ethylideneamino]but-3-en-2-imine
CID 90089205
N-ethylideneethanehydrazonoyl chloride
CID 76617269
(1E)-N-methylideneprop-2-enehydrazonoyl chloride
CID 156745312
(1E)-N,N-dimethylprop-2-enehydrazonoyl chloride
CID 166849863
3,4-dichloropenta-1,3-diene
CID 91053470
(3E)-3,4-dichloropenta-1,3-diene
CID 167302623
buta-1,3-diene;nitrous acid;prop-1-ene
CID 174689525
N-phenylprop-2-enimidoyl chloride
CID 15040268
N'-[(E)-ethylideneamino]-2-methoxyethanimidamide
CID 172984944
but-2-enoyl chloride;prop-2-enoyl chloride
CID 174874963
1,1-dichloroprop-1-ene
CID 157073234
prop-2-enoyl chloride
CID 23168843

Frequently Asked Questions

What is the IUPAC name of (NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride?
The IUPAC name of (NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride (CID 167110233) is (NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride.
What is the SMILES notation for (NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride?
The canonical SMILES for (NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride is C=C/C(Cl)=N\N=C/C.
What is the InChIKey of (NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride?
The InChIKey is WITKCVKVWYZVJS-DKBJKEKUSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-3-5(6)8-7-4-2/h3-4H,1H2,2H3/b7-4-,8-5+.
What are the key properties of (NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride?
(NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride has a molecular weight of 130.58 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride is sourced from PubChem (CID 167110233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).