2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride

C7H10ClNO2 — CID 57043541

IUPAC2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride
SMILESO=C(Cl)C[C@@H]1CCCC(=O)N1
InChIInChI=1S/C7H10ClNO2/c8-6(10)4-5-2-1-3-7(11)9-5/h5H,1-4H2,(H,9,11)/t5-/m0/s1
InChIKeyDCRZVJUCYRMRPM-YFKPBYRVSA-N
MW175.61 g/mol
LogP0.81
Rot. Bonds2

About 2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride

2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride (PubChem CID 57043541) has the molecular formula C7H10ClNO2 and a molecular weight of 175.61 g/mol. Its IUPAC name is 2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride.

Molecular Properties

Compound Name2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride
PubChem CID57043541
Molecular FormulaC7H10ClNO2
Molecular Weight175.61 g/mol
Exact Mass175.04
IUPAC Name2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride
SMILESO=C(Cl)C[C@@H]1CCCC(=O)N1
InChIInChI=1S/C7H10ClNO2/c8-6(10)4-5-2-1-3-7(11)9-5/h5H,1-4H2,(H,9,11)/t5-/m0/s1
InChIKeyDCRZVJUCYRMRPM-YFKPBYRVSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride?
The IUPAC name of 2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride (CID 57043541) is 2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride.
What is the SMILES notation for 2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride?
The canonical SMILES for 2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride is O=C(Cl)C[C@@H]1CCCC(=O)N1.
What is the InChIKey of 2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride?
The InChIKey is DCRZVJUCYRMRPM-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10ClNO2/c8-6(10)4-5-2-1-3-7(11)9-5/h5H,1-4H2,(H,9,11)/t5-/m0/s1.
What are the key properties of 2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride?
2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride has a molecular weight of 175.61 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride is sourced from PubChem (CID 57043541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).