prop-2-enyl 3-oxooxetane-2-carboxylate

C7H8O4 — CID 175402540

IUPACprop-2-enyl 3-oxooxetane-2-carboxylate
SMILESC=CCOC(=O)C1OCC1=O
InChIInChI=1S/C7H8O4/c1-2-3-10-7(9)6-5(8)4-11-6/h2,6H,1,3-4H2
InChIKeyURWMODCMZXNDKZ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.32
Rot. Bonds3

About prop-2-enyl 3-oxooxetane-2-carboxylate

prop-2-enyl 3-oxooxetane-2-carboxylate (PubChem CID 175402540) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is prop-2-enyl 3-oxooxetane-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-oxooxetane-2-carboxylate
PubChem CID175402540
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Nameprop-2-enyl 3-oxooxetane-2-carboxylate
SMILESC=CCOC(=O)C1OCC1=O
InChIInChI=1S/C7H8O4/c1-2-3-10-7(9)6-5(8)4-11-6/h2,6H,1,3-4H2
InChIKeyURWMODCMZXNDKZ-UHFFFAOYSA-N
XLogP-0.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl oxetane-2-carboxylate
CID 174618210
2,5-dioxo-4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 70508828
prop-2-enyl (2R)-3,3-dimethyl-4-oxooxetane-2-carboxylate
CID 102356998
1-O-methyl 2-O-prop-2-enyl 3,6-dioxocyclohexane-1,2-dicarboxylate
CID 67700062
prop-2-enyl (2S)-oxolane-2-carboxylate
CID 93497313
bis(prop-2-enyl) (1R,3S,4S,6S)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 92525933
cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid
CID 139699207
prop-2-enyl 5-oxopyrrolidine-2-carboxylate
CID 14038126
prop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 87574212
prop-2-enyl 2-oxopyrrolidine-3-carboxylate
CID 70598263
prop-2-enyl cyclododecanecarboxylate
CID 139624721
prop-2-enyl 2-methyl-4-oxothiane-3-carboxylate
CID 131850473

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-oxooxetane-2-carboxylate?
The IUPAC name of prop-2-enyl 3-oxooxetane-2-carboxylate (CID 175402540) is prop-2-enyl 3-oxooxetane-2-carboxylate.
What is the SMILES notation for prop-2-enyl 3-oxooxetane-2-carboxylate?
The canonical SMILES for prop-2-enyl 3-oxooxetane-2-carboxylate is C=CCOC(=O)C1OCC1=O.
What is the InChIKey of prop-2-enyl 3-oxooxetane-2-carboxylate?
The InChIKey is URWMODCMZXNDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-2-3-10-7(9)6-5(8)4-11-6/h2,6H,1,3-4H2.
What are the key properties of prop-2-enyl 3-oxooxetane-2-carboxylate?
prop-2-enyl 3-oxooxetane-2-carboxylate has a molecular weight of 156.14 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-oxooxetane-2-carboxylate is sourced from PubChem (CID 175402540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).