cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride

C9H11ClO3 — CID 131857466

IUPACcis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride
SMILESO=C1CCC[C@H]([C@H]2C[C@@H]2C(=O)Cl)O1
InChIInChI=1S/C9H11ClO3/c10-9(12)6-4-5(6)7-2-1-3-8(11)13-7/h5-7H,1-4H2/t5-,6-,7+/m0/s1
InChIKeyHUXNLWKXLWTSEM-LYFYHCNISA-N
MW202.64 g/mol
LogP1.48
Rot. Bonds2

About cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride

cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride (PubChem CID 131857466) has the molecular formula C9H11ClO3 and a molecular weight of 202.64 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride
PubChem CID131857466
Molecular FormulaC9H11ClO3
Molecular Weight202.64 g/mol
Exact Mass202.04
IUPAC Namecis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride
SMILESO=C1CCC[C@H]([C@H]2C[C@@H]2C(=O)Cl)O1
InChIInChI=1S/C9H11ClO3/c10-9(12)6-4-5(6)7-2-1-3-8(11)13-7/h5-7H,1-4H2/t5-,6-,7+/m0/s1
InChIKeyHUXNLWKXLWTSEM-LYFYHCNISA-N
XLogP1.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl 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 cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride?
The IUPAC name of cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride (CID 131857466) is cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride.
What is the SMILES notation for cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride?
The canonical SMILES for cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride is O=C1CCC[C@H]([C@H]2C[C@@H]2C(=O)Cl)O1.
What is the InChIKey of cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride?
The InChIKey is HUXNLWKXLWTSEM-LYFYHCNISA-N. The full InChI is InChI=1S/C9H11ClO3/c10-9(12)6-4-5(6)7-2-1-3-8(11)13-7/h5-7H,1-4H2/t5-,6-,7+/m0/s1.
What are the key properties of cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride?
cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride has a molecular weight of 202.64 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 131857466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).