1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride

C7H11ClO2S — CID 131251183

IUPAC1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride
SMILESC/C=C/CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H11ClO2S/c1-2-3-4-7(5-6-7)11(8,9)10/h2-3H,4-6H2,1H3/b3-2+
InChIKeyZUNGKZXVOWAJLK-NSCUHMNNSA-N
MW194.68 g/mol
LogP2.05
Rot. Bonds3

About 1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride

1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride (PubChem CID 131251183) has the molecular formula C7H11ClO2S and a molecular weight of 194.68 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride
PubChem CID131251183
Molecular FormulaC7H11ClO2S
Molecular Weight194.68 g/mol
Exact Mass194.02
IUPAC Name1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride
SMILESC/C=C/CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H11ClO2S/c1-2-3-4-7(5-6-7)11(8,9)10/h2-3H,4-6H2,1H3/b3-2+
InChIKeyZUNGKZXVOWAJLK-NSCUHMNNSA-N
XLogP2.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.68
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride
CID 165490509
1-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopropane-1-sulfonyl chloride
CID 165490337
1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride
CID 165495279
1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride
CID 165495714
1-(5-fluoropentyl)cyclopropane-1-sulfonyl chloride
CID 165496800
1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride
CID 165490471
1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride
CID 165490528
1-but-2-enylcycloheptane-1-carboxylic acid
CID 79429503
1-but-2-enylcyclohexane-1-carboxylic acid
CID 112734325
1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride
CID 165490453
1-ethyl-1-(1-ethylcyclopropyl)sulfonylcyclopropane
CID 160654099
2-but-2-enyl-2-methyl-1,3-dioxolane
CID 162417486

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride (CID 131251183) is 1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride is C/C=C/CC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride?
The InChIKey is ZUNGKZXVOWAJLK-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11ClO2S/c1-2-3-4-7(5-6-7)11(8,9)10/h2-3H,4-6H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride?
1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride has a molecular weight of 194.68 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 131251183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).