3-prop-2-enoyl-1,3-oxazolidin-2-one

C6H7NO3 — CID 10351788

IUPAC3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1CCOC1=O
InChIInChI=1S/C6H7NO3/c1-2-5(8)7-3-4-10-6(7)9/h2H,1,3-4H2
InChIKeyHIBSYUPTCGGRSD-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.15
Rot. Bonds1

About 3-prop-2-enoyl-1,3-oxazolidin-2-one

3-prop-2-enoyl-1,3-oxazolidin-2-one (PubChem CID 10351788) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-prop-2-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-prop-2-enoyl-1,3-oxazolidin-2-one
PubChem CID10351788
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1CCOC1=O
InChIInChI=1S/C6H7NO3/c1-2-5(8)7-3-4-10-6(7)9/h2H,1,3-4H2
InChIKeyHIBSYUPTCGGRSD-UHFFFAOYSA-N
XLogP0.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-prop-2-enoyl-1,3-oxazolidin-2-one (CID 10351788) is 3-prop-2-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-prop-2-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-prop-2-enoyl-1,3-oxazolidin-2-one is C=CC(=O)N1CCOC1=O.
What is the InChIKey of 3-prop-2-enoyl-1,3-oxazolidin-2-one?
The InChIKey is HIBSYUPTCGGRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-2-5(8)7-3-4-10-6(7)9/h2H,1,3-4H2.
What are the key properties of 3-prop-2-enoyl-1,3-oxazolidin-2-one?
3-prop-2-enoyl-1,3-oxazolidin-2-one has a molecular weight of 141.13 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10351788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).