2-chloro-N',N'-dimethylacetohydrazide

C4H9ClN2O — CID 12559346

IUPAC2-chloro-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)CCl
InChIInChI=1S/C4H9ClN2O/c1-7(2)6-4(8)3-5/h3H2,1-2H3,(H,6,8)
InChIKeyKUZAASWDHYLWAF-UHFFFAOYSA-N
MW136.58 g/mol
LogP-0.18
Rot. Bonds2

About 2-chloro-N',N'-dimethylacetohydrazide

2-chloro-N',N'-dimethylacetohydrazide (PubChem CID 12559346) has the molecular formula C4H9ClN2O and a molecular weight of 136.58 g/mol. Its IUPAC name is 2-chloro-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-chloro-N',N'-dimethylacetohydrazide
PubChem CID12559346
Molecular FormulaC4H9ClN2O
Molecular Weight136.58 g/mol
Exact Mass136.04
IUPAC Name2-chloro-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)CCl
InChIInChI=1S/C4H9ClN2O/c1-7(2)6-4(8)3-5/h3H2,1-2H3,(H,6,8)
InChIKeyKUZAASWDHYLWAF-UHFFFAOYSA-N
XLogP-0.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

1-N',1-N',2-N',2-N'-tetramethylethanedihydrazide
CID 7039174
N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide
CID 143700365
N',N',5-trimethyl-4-oxohexanehydrazide
CID 59531474
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
2-chloro-N-[ethyl(methyl)carbamoyl]acetamide
CID 43243232
2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide
CID 66565735
2-chloroacetic acid;N,N-dimethylmethanamine
CID 87770829
N-acetyl-2-chloroacetamide
CID 2366697
2-chloro-N-methylacetamide;methanamine
CID 162214165
2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide
CID 43114793
3-(ethylamino)-N',N'-dimethylbutanehydrazide
CID 83021084
2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
CID 43146174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-chloro-N',N'-dimethylacetohydrazide (CID 12559346) is 2-chloro-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-chloro-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-chloro-N',N'-dimethylacetohydrazide is CN(C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N',N'-dimethylacetohydrazide?
The InChIKey is KUZAASWDHYLWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClN2O/c1-7(2)6-4(8)3-5/h3H2,1-2H3,(H,6,8).
What are the key properties of 2-chloro-N',N'-dimethylacetohydrazide?
2-chloro-N',N'-dimethylacetohydrazide has a molecular weight of 136.58 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 12559346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).