2-diazo-3-(diethylamino)-3-oxopropanoyl chloride

C7H10ClN3O2 — CID 137281218

IUPAC2-diazo-3-(diethylamino)-3-oxopropanoyl chloride
SMILESCCN(CC)C(=O)C(=[N+]=[N-])C(=O)Cl
InChIInChI=1S/C7H10ClN3O2/c1-3-11(4-2)7(13)5(10-9)6(8)12/h3-4H2,1-2H3
InChIKeyJEFOYMPGZARWMX-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.29
Rot. Bonds4

About 2-diazo-3-(diethylamino)-3-oxopropanoyl chloride

2-diazo-3-(diethylamino)-3-oxopropanoyl chloride (PubChem CID 137281218) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-diazo-3-(diethylamino)-3-oxopropanoyl chloride.

Molecular Properties

Compound Name2-diazo-3-(diethylamino)-3-oxopropanoyl chloride
PubChem CID137281218
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name2-diazo-3-(diethylamino)-3-oxopropanoyl chloride
SMILESCCN(CC)C(=O)C(=[N+]=[N-])C(=O)Cl
InChIInChI=1S/C7H10ClN3O2/c1-3-11(4-2)7(13)5(10-9)6(8)12/h3-4H2,1-2H3
InChIKeyJEFOYMPGZARWMX-UHFFFAOYSA-N
XLogP0.29
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-3-(diethylamino)-3-oxopropanoyl chloride?
The IUPAC name of 2-diazo-3-(diethylamino)-3-oxopropanoyl chloride (CID 137281218) is 2-diazo-3-(diethylamino)-3-oxopropanoyl chloride.
What is the SMILES notation for 2-diazo-3-(diethylamino)-3-oxopropanoyl chloride?
The canonical SMILES for 2-diazo-3-(diethylamino)-3-oxopropanoyl chloride is CCN(CC)C(=O)C(=[N+]=[N-])C(=O)Cl.
What is the InChIKey of 2-diazo-3-(diethylamino)-3-oxopropanoyl chloride?
The InChIKey is JEFOYMPGZARWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-3-11(4-2)7(13)5(10-9)6(8)12/h3-4H2,1-2H3.
What are the key properties of 2-diazo-3-(diethylamino)-3-oxopropanoyl chloride?
2-diazo-3-(diethylamino)-3-oxopropanoyl chloride has a molecular weight of 203.63 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-3-(diethylamino)-3-oxopropanoyl chloride is sourced from PubChem (CID 137281218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).