4-methylidene-1,3-oxazolidin-2-one

C4H5NO2 — CID 19427867

IUPAC4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1COC(=O)N1
InChIInChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h1-2H2,(H,5,6)
InChIKeyNUSWDRHNSBBEEO-UHFFFAOYSA-N
MW99.09 g/mol
LogP0.24
Rot. Bonds

About 4-methylidene-1,3-oxazolidin-2-one

4-methylidene-1,3-oxazolidin-2-one (PubChem CID 19427867) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 4-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methylidene-1,3-oxazolidin-2-one
PubChem CID19427867
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1COC(=O)N1
InChIInChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h1-2H2,(H,5,6)
InChIKeyNUSWDRHNSBBEEO-UHFFFAOYSA-N
XLogP0.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 4-methylidene-1,3-oxazolidin-2-one (CID 19427867) is 4-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methylidene-1,3-oxazolidin-2-one is C=C1COC(=O)N1.
What is the InChIKey of 4-methylidene-1,3-oxazolidin-2-one?
The InChIKey is NUSWDRHNSBBEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h1-2H2,(H,5,6).
What are the key properties of 4-methylidene-1,3-oxazolidin-2-one?
4-methylidene-1,3-oxazolidin-2-one has a molecular weight of 99.09 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 19427867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).