2-hydroxyethyl cyclopropene-1-carboxylate

C6H8O3 — CID 141164659

IUPAC2-hydroxyethyl cyclopropene-1-carboxylate
SMILESO=C(OCCO)C1=CC1
InChIInChI=1S/C6H8O3/c7-3-4-9-6(8)5-1-2-5/h1,7H,2-4H2
InChIKeyVHLNMHQGKKLWFB-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.15
Rot. Bonds3

About 2-hydroxyethyl cyclopropene-1-carboxylate

2-hydroxyethyl cyclopropene-1-carboxylate (PubChem CID 141164659) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-hydroxyethyl cyclopropene-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl cyclopropene-1-carboxylate
PubChem CID141164659
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name2-hydroxyethyl cyclopropene-1-carboxylate
SMILESO=C(OCCO)C1=CC1
InChIInChI=1S/C6H8O3/c7-3-4-9-6(8)5-1-2-5/h1,7H,2-4H2
InChIKeyVHLNMHQGKKLWFB-UHFFFAOYSA-N
XLogP-0.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropene-1-carboperoxoic acid
CID 156697961
ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid
CID 161199390
2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate
CID 161410762
2-(2-hydroxyethoxycarbonyl)benzoate
CID 7034609
2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate
CID 69170087
propyl 3-oxocyclopentene-1-carboxylate
CID 102436268
3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid
CID 126612228
2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate
CID 177306970
2-hydroxyethyl 2-aminooxybenzoate
CID 21127308
2-hydroxyethyl 2,4,5-trimethoxybenzoate
CID 35514388
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738
3-hydroxypropyl cyclobutadienecarboxylate
CID 58916387

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl cyclopropene-1-carboxylate?
The IUPAC name of 2-hydroxyethyl cyclopropene-1-carboxylate (CID 141164659) is 2-hydroxyethyl cyclopropene-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl cyclopropene-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl cyclopropene-1-carboxylate is O=C(OCCO)C1=CC1.
What is the InChIKey of 2-hydroxyethyl cyclopropene-1-carboxylate?
The InChIKey is VHLNMHQGKKLWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c7-3-4-9-6(8)5-1-2-5/h1,7H,2-4H2.
What are the key properties of 2-hydroxyethyl cyclopropene-1-carboxylate?
2-hydroxyethyl cyclopropene-1-carboxylate has a molecular weight of 128.13 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl cyclopropene-1-carboxylate is sourced from PubChem (CID 141164659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).