2-(dipropylamino)-2-oxoacetyl chloride

C8H14ClNO2 — CID 131861907

IUPAC2-(dipropylamino)-2-oxoacetyl chloride
SMILESCCCN(CCC)C(=O)C(=O)Cl
InChIInChI=1S/C8H14ClNO2/c1-3-5-10(6-4-2)8(12)7(9)11/h3-6H2,1-2H3
InChIKeyRYHKDFIBZXVKFH-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.40
Rot. Bonds5

About 2-(dipropylamino)-2-oxoacetyl chloride

2-(dipropylamino)-2-oxoacetyl chloride (PubChem CID 131861907) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-(dipropylamino)-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-(dipropylamino)-2-oxoacetyl chloride
PubChem CID131861907
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-(dipropylamino)-2-oxoacetyl chloride
SMILESCCCN(CCC)C(=O)C(=O)Cl
InChIInChI=1S/C8H14ClNO2/c1-3-5-10(6-4-2)8(12)7(9)11/h3-6H2,1-2H3
InChIKeyRYHKDFIBZXVKFH-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Acetyl chloride, (diethylamino)oxo-
CID 11367185
(Dibutylamino)oxoacetyl chloride
CID 18369518
2-[Di(propan-2-yl)amino]-2-oxoacetyl chloride
CID 19777909
2-Oxo-2-pyrrolidin-1-ylacetyl chloride
CID 19777928
2-[Methyl(propanoyl)amino]acetyl chloride
CID 53708441
2-[Acetyl(methyl)amino]acetyl chloride
CID 87622881
2-[Tert-butyl(methyl)amino]-2-oxoacetyl chloride
CID 140241602
2-[Ethyl(methyl)amino]-2-oxoacetyl chloride
CID 140241605
2-[Carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride
CID 131863368

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-2-oxoacetyl chloride?
The IUPAC name of 2-(dipropylamino)-2-oxoacetyl chloride (CID 131861907) is 2-(dipropylamino)-2-oxoacetyl chloride.
What is the SMILES notation for 2-(dipropylamino)-2-oxoacetyl chloride?
The canonical SMILES for 2-(dipropylamino)-2-oxoacetyl chloride is CCCN(CCC)C(=O)C(=O)Cl.
What is the InChIKey of 2-(dipropylamino)-2-oxoacetyl chloride?
The InChIKey is RYHKDFIBZXVKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-3-5-10(6-4-2)8(12)7(9)11/h3-6H2,1-2H3.
What are the key properties of 2-(dipropylamino)-2-oxoacetyl chloride?
2-(dipropylamino)-2-oxoacetyl chloride has a molecular weight of 191.66 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-2-oxoacetyl chloride is sourced from PubChem (CID 131861907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).