ethenyl cyclopropanecarboxylate;hydrochloride

C6H9ClO2 — CID 70403102

IUPACethenyl cyclopropanecarboxylate;hydrochloride
SMILESC=COC(=O)C1CC1.Cl
InChIInChI=1S/C6H8O2.ClH/c1-2-8-6(7)5-3-4-5;/h2,5H,1,3-4H2;1H
InChIKeyANIDSRQPJQECIH-UHFFFAOYSA-N
MW148.59 g/mol
LogP1.50
Rot. Bonds2

About ethenyl cyclopropanecarboxylate;hydrochloride

ethenyl cyclopropanecarboxylate;hydrochloride (PubChem CID 70403102) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is ethenyl cyclopropanecarboxylate;hydrochloride.

Molecular Properties

Compound Nameethenyl cyclopropanecarboxylate;hydrochloride
PubChem CID70403102
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Nameethenyl cyclopropanecarboxylate;hydrochloride
SMILESC=COC(=O)C1CC1.Cl
InChIInChI=1S/C6H8O2.ClH/c1-2-8-6(7)5-3-4-5;/h2,5H,1,3-4H2;1H
InChIKeyANIDSRQPJQECIH-UHFFFAOYSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 173077212
acetic acid;ethenyl cyclopropanecarboxylate
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ethenyl 4-phenylcyclohexane-1-carboxylate
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CID 70516962
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CID 172860525
4-formyloxycarbonylcyclohexane-1-carboxylic acid
CID 174576128
ethenyl pyrrolidine-2-carboxylate
CID 77217277
prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 69033800
4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952596
ethenyl N-cyclopropylcarbamate
CID 154238495
methylamino cyclopropanecarboxylate
CID 19995333

Frequently Asked Questions

What is the IUPAC name of ethenyl cyclopropanecarboxylate;hydrochloride?
The IUPAC name of ethenyl cyclopropanecarboxylate;hydrochloride (CID 70403102) is ethenyl cyclopropanecarboxylate;hydrochloride.
What is the SMILES notation for ethenyl cyclopropanecarboxylate;hydrochloride?
The canonical SMILES for ethenyl cyclopropanecarboxylate;hydrochloride is C=COC(=O)C1CC1.Cl.
What is the InChIKey of ethenyl cyclopropanecarboxylate;hydrochloride?
The InChIKey is ANIDSRQPJQECIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.ClH/c1-2-8-6(7)5-3-4-5;/h2,5H,1,3-4H2;1H.
What are the key properties of ethenyl cyclopropanecarboxylate;hydrochloride?
ethenyl cyclopropanecarboxylate;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl cyclopropanecarboxylate;hydrochloride is sourced from PubChem (CID 70403102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).