acetyl chloride;2,2-dimethylpropanamide

C7H14ClNO2 — CID 157270629

IUPACacetyl chloride;2,2-dimethylpropanamide
SMILESCC(=O)Cl.CC(C)(C)C(N)=O
InChIInChI=1S/C5H11NO.C2H3ClO/c1-5(2,3)4(6)7;1-2(3)4/h1-3H3,(H2,6,7);1H3
InChIKeyAYMLSISGGLKORC-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.29
Rot. Bonds

About acetyl chloride;2,2-dimethylpropanamide

acetyl chloride;2,2-dimethylpropanamide (PubChem CID 157270629) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is acetyl chloride;2,2-dimethylpropanamide.

Molecular Properties

Compound Nameacetyl chloride;2,2-dimethylpropanamide
PubChem CID157270629
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Nameacetyl chloride;2,2-dimethylpropanamide
SMILESCC(=O)Cl.CC(C)(C)C(N)=O
InChIInChI=1S/C5H11NO.C2H3ClO/c1-5(2,3)4(6)7;1-2(3)4/h1-3H3,(H2,6,7);1H3
InChIKeyAYMLSISGGLKORC-UHFFFAOYSA-N
XLogP1.29
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyl chloride;2,2-dimethylpropanamide?
The IUPAC name of acetyl chloride;2,2-dimethylpropanamide (CID 157270629) is acetyl chloride;2,2-dimethylpropanamide.
What is the SMILES notation for acetyl chloride;2,2-dimethylpropanamide?
The canonical SMILES for acetyl chloride;2,2-dimethylpropanamide is CC(=O)Cl.CC(C)(C)C(N)=O.
What is the InChIKey of acetyl chloride;2,2-dimethylpropanamide?
The InChIKey is AYMLSISGGLKORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H3ClO/c1-5(2,3)4(6)7;1-2(3)4/h1-3H3,(H2,6,7);1H3.
What are the key properties of acetyl chloride;2,2-dimethylpropanamide?
acetyl chloride;2,2-dimethylpropanamide has a molecular weight of 179.65 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;2,2-dimethylpropanamide is sourced from PubChem (CID 157270629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).