2-acetamido-3,3-dimethylbutanoyl chloride

C8H14ClNO2 — CID 130013927

IUPAC2-acetamido-3,3-dimethylbutanoyl chloride
SMILESCC(=O)NC(C(=O)Cl)C(C)(C)C
InChIInChI=1S/C8H14ClNO2/c1-5(11)10-6(7(9)12)8(2,3)4/h6H,1-4H3,(H,10,11)
InChIKeyGFJFIMTXPBDUMI-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.30
Rot. Bonds2

About 2-acetamido-3,3-dimethylbutanoyl chloride

2-acetamido-3,3-dimethylbutanoyl chloride (PubChem CID 130013927) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-acetamido-3,3-dimethylbutanoyl chloride.

Molecular Properties

Compound Name2-acetamido-3,3-dimethylbutanoyl chloride
PubChem CID130013927
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-acetamido-3,3-dimethylbutanoyl chloride
SMILESCC(=O)NC(C(=O)Cl)C(C)(C)C
InChIInChI=1S/C8H14ClNO2/c1-5(11)10-6(7(9)12)8(2,3)4/h6H,1-4H3,(H,10,11)
InChIKeyGFJFIMTXPBDUMI-UHFFFAOYSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.30
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 2-acetamido-3,3-dimethylbutanoyl chloride?
The IUPAC name of 2-acetamido-3,3-dimethylbutanoyl chloride (CID 130013927) is 2-acetamido-3,3-dimethylbutanoyl chloride.
What is the SMILES notation for 2-acetamido-3,3-dimethylbutanoyl chloride?
The canonical SMILES for 2-acetamido-3,3-dimethylbutanoyl chloride is CC(=O)NC(C(=O)Cl)C(C)(C)C.
What is the InChIKey of 2-acetamido-3,3-dimethylbutanoyl chloride?
The InChIKey is GFJFIMTXPBDUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-5(11)10-6(7(9)12)8(2,3)4/h6H,1-4H3,(H,10,11).
What are the key properties of 2-acetamido-3,3-dimethylbutanoyl chloride?
2-acetamido-3,3-dimethylbutanoyl chloride has a molecular weight of 191.66 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3,3-dimethylbutanoyl chloride is sourced from PubChem (CID 130013927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).