5-methylidene-1,3-oxazolidine

C4H7NO — CID 70580345

IUPAC5-methylidene-1,3-oxazolidine
SMILESC=C1CNCO1
InChIInChI=1S/C4H7NO/c1-4-2-5-3-6-4/h5H,1-3H2
InChIKeyAQHIREYVFQSORE-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.08
Rot. Bonds

About 5-methylidene-1,3-oxazolidine

5-methylidene-1,3-oxazolidine (PubChem CID 70580345) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 5-methylidene-1,3-oxazolidine.

Molecular Properties

Compound Name5-methylidene-1,3-oxazolidine
PubChem CID70580345
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name5-methylidene-1,3-oxazolidine
SMILESC=C1CNCO1
InChIInChI=1S/C4H7NO/c1-4-2-5-3-6-4/h5H,1-3H2
InChIKeyAQHIREYVFQSORE-UHFFFAOYSA-N
XLogP0.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,3-oxazolidine?
The IUPAC name of 5-methylidene-1,3-oxazolidine (CID 70580345) is 5-methylidene-1,3-oxazolidine.
What is the SMILES notation for 5-methylidene-1,3-oxazolidine?
The canonical SMILES for 5-methylidene-1,3-oxazolidine is C=C1CNCO1.
What is the InChIKey of 5-methylidene-1,3-oxazolidine?
The InChIKey is AQHIREYVFQSORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h5H,1-3H2.
What are the key properties of 5-methylidene-1,3-oxazolidine?
5-methylidene-1,3-oxazolidine has a molecular weight of 85.11 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,3-oxazolidine is sourced from PubChem (CID 70580345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).