4-methyl-2-oxopiperidine-1-carbonyl chloride

C7H10ClNO2 — CID 54018391

IUPAC4-methyl-2-oxopiperidine-1-carbonyl chloride
SMILESCC1CCN(C(=O)Cl)C(=O)C1
InChIInChI=1S/C7H10ClNO2/c1-5-2-3-9(7(8)11)6(10)4-5/h5H,2-4H2,1H3
InChIKeyKXFIYDMMOLJWEF-UHFFFAOYSA-N
MW175.61 g/mol
LogP1.60
Rot. Bonds

About 4-methyl-2-oxopiperidine-1-carbonyl chloride

4-methyl-2-oxopiperidine-1-carbonyl chloride (PubChem CID 54018391) has the molecular formula C7H10ClNO2 and a molecular weight of 175.61 g/mol. Its IUPAC name is 4-methyl-2-oxopiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-methyl-2-oxopiperidine-1-carbonyl chloride
PubChem CID54018391
Molecular FormulaC7H10ClNO2
Molecular Weight175.61 g/mol
Exact Mass175.04
IUPAC Name4-methyl-2-oxopiperidine-1-carbonyl chloride
SMILESCC1CCN(C(=O)Cl)C(=O)C1
InChIInChI=1S/C7H10ClNO2/c1-5-2-3-9(7(8)11)6(10)4-5/h5H,2-4H2,1H3
InChIKeyKXFIYDMMOLJWEF-UHFFFAOYSA-N
XLogP1.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxopiperidine-1-carbonyl chloride?
The IUPAC name of 4-methyl-2-oxopiperidine-1-carbonyl chloride (CID 54018391) is 4-methyl-2-oxopiperidine-1-carbonyl chloride.
What is the SMILES notation for 4-methyl-2-oxopiperidine-1-carbonyl chloride?
The canonical SMILES for 4-methyl-2-oxopiperidine-1-carbonyl chloride is CC1CCN(C(=O)Cl)C(=O)C1.
What is the InChIKey of 4-methyl-2-oxopiperidine-1-carbonyl chloride?
The InChIKey is KXFIYDMMOLJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2/c1-5-2-3-9(7(8)11)6(10)4-5/h5H,2-4H2,1H3.
What are the key properties of 4-methyl-2-oxopiperidine-1-carbonyl chloride?
4-methyl-2-oxopiperidine-1-carbonyl chloride has a molecular weight of 175.61 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxopiperidine-1-carbonyl chloride is sourced from PubChem (CID 54018391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).