2-oxo-3-prop-2-enyloxolane-3-carbaldehyde

C8H10O3 — CID 132820671

IUPAC2-oxo-3-prop-2-enyloxolane-3-carbaldehyde
SMILESC=CCC1(C=O)CCOC1=O
InChIInChI=1S/C8H10O3/c1-2-3-8(6-9)4-5-11-7(8)10/h2,6H,1,3-5H2
InChIKeyDEGPNPNYHFVYEQ-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds3

About 2-oxo-3-prop-2-enyloxolane-3-carbaldehyde

2-oxo-3-prop-2-enyloxolane-3-carbaldehyde (PubChem CID 132820671) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-oxo-3-prop-2-enyloxolane-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-3-prop-2-enyloxolane-3-carbaldehyde
PubChem CID132820671
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-oxo-3-prop-2-enyloxolane-3-carbaldehyde
SMILESC=CCC1(C=O)CCOC1=O
InChIInChI=1S/C8H10O3/c1-2-3-8(6-9)4-5-11-7(8)10/h2,6H,1,3-5H2
InChIKeyDEGPNPNYHFVYEQ-UHFFFAOYSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Prop-2-en-1-yl)oxolane-3-carboxylic acid
CID 79420822
3-(Prop-2-en-1-yl)oxolane-3-carbaldehyde
CID 131026694
(3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one
CID 134956675
3,3-Bis(prop-2-enyl)oxolane-2,4-dione
CID 11217589
Methyl-2-allyl-butanolide
CID 10898804
(3R)-2-oxo-3-prop-2-enyloxolane-3-carbaldehyde
CID 134968588
3-Prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one
CID 132820672
4-Pentenoic acid, 2-formyl-2-methyl-, ethyl ester
CID 534907
3,3-Bis(prop-2-enyl)oxolan-2-one
CID 21582733
Ethyl 1-formylcyclopent-3-ene-1-carboxylate
CID 88269202
2-Oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde
CID 88674628
2-Allyl-2-formyl-pent-4-enoic acid ethyl ester
CID 100010546

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-prop-2-enyloxolane-3-carbaldehyde?
The IUPAC name of 2-oxo-3-prop-2-enyloxolane-3-carbaldehyde (CID 132820671) is 2-oxo-3-prop-2-enyloxolane-3-carbaldehyde.
What is the SMILES notation for 2-oxo-3-prop-2-enyloxolane-3-carbaldehyde?
The canonical SMILES for 2-oxo-3-prop-2-enyloxolane-3-carbaldehyde is C=CCC1(C=O)CCOC1=O.
What is the InChIKey of 2-oxo-3-prop-2-enyloxolane-3-carbaldehyde?
The InChIKey is DEGPNPNYHFVYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-8(6-9)4-5-11-7(8)10/h2,6H,1,3-5H2.
What are the key properties of 2-oxo-3-prop-2-enyloxolane-3-carbaldehyde?
2-oxo-3-prop-2-enyloxolane-3-carbaldehyde has a molecular weight of 154.16 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-prop-2-enyloxolane-3-carbaldehyde is sourced from PubChem (CID 132820671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).