1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone

C6H9NO2 — CID 59171634

IUPAC1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone
SMILESC=C1OCCN1C(C)=O
InChIInChI=1S/C6H9NO2/c1-5(8)7-3-4-9-6(7)2/h2-4H2,1H3
InChIKeyHOIDBLJPJWNWSE-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.34
Rot. Bonds

About 1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone

1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone (PubChem CID 59171634) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone
PubChem CID59171634
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone
SMILESC=C1OCCN1C(C)=O
InChIInChI=1S/C6H9NO2/c1-5(8)7-3-4-9-6(7)2/h2-4H2,1H3
InChIKeyHOIDBLJPJWNWSE-UHFFFAOYSA-N
XLogP0.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone (CID 59171634) is 1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone is C=C1OCCN1C(C)=O.
What is the InChIKey of 1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is HOIDBLJPJWNWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-5(8)7-3-4-9-6(7)2/h2-4H2,1H3.
What are the key properties of 1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone?
1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 127.14 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidene-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 59171634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).