methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate

C6H7ClO3 — CID 140893068

IUPACmethyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C[C@@H]1C(=O)Cl
InChIInChI=1S/C6H7ClO3/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3/t3-,4?/m0/s1
InChIKeyVOUXEEDGGBGRHN-WUCPZUCCSA-N
MW162.57 g/mol
LogP0.56
Rot. Bonds2

About methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate

methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate (PubChem CID 140893068) has the molecular formula C6H7ClO3 and a molecular weight of 162.57 g/mol. Its IUPAC name is methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
PubChem CID140893068
Molecular FormulaC6H7ClO3
Molecular Weight162.57 g/mol
Exact Mass162.01
IUPAC Namemethyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C[C@@H]1C(=O)Cl
InChIInChI=1S/C6H7ClO3/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3/t3-,4?/m0/s1
InChIKeyVOUXEEDGGBGRHN-WUCPZUCCSA-N
XLogP0.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.57
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
methyl (1R,6R)-6-carbonochloridoylcyclohex-3-ene-1-carboxylate
CID 45081835
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
CID 23208873
cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate
CID 59802095
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914
dimethyl 4-tert-butylcyclopentane-1,2-dicarboxylate
CID 545084

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate?
The IUPAC name of methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate (CID 140893068) is methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate is COC(=O)C1C[C@@H]1C(=O)Cl.
What is the InChIKey of methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate?
The InChIKey is VOUXEEDGGBGRHN-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H7ClO3/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3/t3-,4?/m0/s1.
What are the key properties of methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate?
methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate has a molecular weight of 162.57 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate is sourced from PubChem (CID 140893068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).