(1E)-N,N-dimethylprop-2-enehydrazonoyl chloride

C5H9ClN2 — CID 166849863

IUPAC(1E)-N,N-dimethylprop-2-enehydrazonoyl chloride
SMILESC=C/C(Cl)=N\N(C)C
InChIInChI=1S/C5H9ClN2/c1-4-5(6)7-8(2)3/h4H,1H2,2-3H3/b7-5+
InChIKeyJIPRTUSPGUPJRG-FNORWQNLSA-N
MW132.59 g/mol
LogP1.29
Rot. Bonds2

About (1E)-N,N-dimethylprop-2-enehydrazonoyl chloride

(1E)-N,N-dimethylprop-2-enehydrazonoyl chloride (PubChem CID 166849863) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is (1E)-N,N-dimethylprop-2-enehydrazonoyl chloride.

Molecular Properties

Compound Name(1E)-N,N-dimethylprop-2-enehydrazonoyl chloride
PubChem CID166849863
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name(1E)-N,N-dimethylprop-2-enehydrazonoyl chloride
SMILESC=C/C(Cl)=N\N(C)C
InChIInChI=1S/C5H9ClN2/c1-4-5(6)7-8(2)3/h4H,1H2,2-3H3/b7-5+
InChIKeyJIPRTUSPGUPJRG-FNORWQNLSA-N
XLogP1.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.29
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

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Frequently Asked Questions

What is the IUPAC name of (1E)-N,N-dimethylprop-2-enehydrazonoyl chloride?
The IUPAC name of (1E)-N,N-dimethylprop-2-enehydrazonoyl chloride (CID 166849863) is (1E)-N,N-dimethylprop-2-enehydrazonoyl chloride.
What is the SMILES notation for (1E)-N,N-dimethylprop-2-enehydrazonoyl chloride?
The canonical SMILES for (1E)-N,N-dimethylprop-2-enehydrazonoyl chloride is C=C/C(Cl)=N\N(C)C.
What is the InChIKey of (1E)-N,N-dimethylprop-2-enehydrazonoyl chloride?
The InChIKey is JIPRTUSPGUPJRG-FNORWQNLSA-N. The full InChI is InChI=1S/C5H9ClN2/c1-4-5(6)7-8(2)3/h4H,1H2,2-3H3/b7-5+.
What are the key properties of (1E)-N,N-dimethylprop-2-enehydrazonoyl chloride?
(1E)-N,N-dimethylprop-2-enehydrazonoyl chloride has a molecular weight of 132.59 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-dimethylprop-2-enehydrazonoyl chloride is sourced from PubChem (CID 166849863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).