N'-(2-chloroacetyl)-2-methoxyacetohydrazide

C5H9ClN2O3 — CID 71758393

IUPACN'-(2-chloroacetyl)-2-methoxyacetohydrazide
SMILESCOCC(=O)NNC(=O)CCl
InChIInChI=1S/C5H9ClN2O3/c1-11-3-5(10)8-7-4(9)2-6/h2-3H2,1H3,(H,7,9)(H,8,10)
InChIKeyCDGPACYNMOSKJQ-UHFFFAOYSA-N
MW180.59 g/mol
LogP-0.98
Rot. Bonds3

About N'-(2-chloroacetyl)-2-methoxyacetohydrazide

N'-(2-chloroacetyl)-2-methoxyacetohydrazide (PubChem CID 71758393) has the molecular formula C5H9ClN2O3 and a molecular weight of 180.59 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-2-methoxyacetohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-2-methoxyacetohydrazide
PubChem CID71758393
Molecular FormulaC5H9ClN2O3
Molecular Weight180.59 g/mol
Exact Mass180.03
IUPAC NameN'-(2-chloroacetyl)-2-methoxyacetohydrazide
SMILESCOCC(=O)NNC(=O)CCl
InChIInChI=1S/C5H9ClN2O3/c1-11-3-5(10)8-7-4(9)2-6/h2-3H2,1H3,(H,7,9)(H,8,10)
InChIKeyCDGPACYNMOSKJQ-UHFFFAOYSA-N
XLogP-0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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'-(2-chloroacetyl)-2-methoxyacetohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-2-methoxyacetohydrazide (CID 71758393) is N'-(2-chloroacetyl)-2-methoxyacetohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-2-methoxyacetohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-2-methoxyacetohydrazide is COCC(=O)NNC(=O)CCl.
What is the InChIKey of N'-(2-chloroacetyl)-2-methoxyacetohydrazide?
The InChIKey is CDGPACYNMOSKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2O3/c1-11-3-5(10)8-7-4(9)2-6/h2-3H2,1H3,(H,7,9)(H,8,10).
What are the key properties of N'-(2-chloroacetyl)-2-methoxyacetohydrazide?
N'-(2-chloroacetyl)-2-methoxyacetohydrazide has a molecular weight of 180.59 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-2-methoxyacetohydrazide is sourced from PubChem (CID 71758393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).