N-ethylideneethanehydrazonoyl chloride

C4H7ClN2 — CID 76617269

IUPACN-ethylideneethanehydrazonoyl chloride
SMILESCC=NN=C(C)Cl
InChIInChI=1S/C4H7ClN2/c1-3-6-7-4(2)5/h3H,1-2H3
InChIKeyXUCMDXXZMUIUKH-UHFFFAOYSA-N
MW118.57 g/mol
LogP1.65
Rot. Bonds1

About N-ethylideneethanehydrazonoyl chloride

N-ethylideneethanehydrazonoyl chloride (PubChem CID 76617269) has the molecular formula C4H7ClN2 and a molecular weight of 118.57 g/mol. Its IUPAC name is N-ethylideneethanehydrazonoyl chloride.

Molecular Properties

Compound NameN-ethylideneethanehydrazonoyl chloride
PubChem CID76617269
Molecular FormulaC4H7ClN2
Molecular Weight118.57 g/mol
Exact Mass118.03
IUPAC NameN-ethylideneethanehydrazonoyl chloride
SMILESCC=NN=C(C)Cl
InChIInChI=1S/C4H7ClN2/c1-3-6-7-4(2)5/h3H,1-2H3
InChIKeyXUCMDXXZMUIUKH-UHFFFAOYSA-N
XLogP1.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.57
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of N-ethylideneethanehydrazonoyl chloride?
The IUPAC name of N-ethylideneethanehydrazonoyl chloride (CID 76617269) is N-ethylideneethanehydrazonoyl chloride.
What is the SMILES notation for N-ethylideneethanehydrazonoyl chloride?
The canonical SMILES for N-ethylideneethanehydrazonoyl chloride is CC=NN=C(C)Cl.
What is the InChIKey of N-ethylideneethanehydrazonoyl chloride?
The InChIKey is XUCMDXXZMUIUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN2/c1-3-6-7-4(2)5/h3H,1-2H3.
What are the key properties of N-ethylideneethanehydrazonoyl chloride?
N-ethylideneethanehydrazonoyl chloride has a molecular weight of 118.57 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylideneethanehydrazonoyl chloride is sourced from PubChem (CID 76617269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).