3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one

C6H9NO2 — CID 45087299

IUPAC3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1OC(=O)N(C)C1C
InChIInChI=1S/C6H9NO2/c1-4-5(2)9-6(8)7(4)3/h4H,2H2,1,3H3
InChIKeyZQRJSBWZQUNCPU-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.97
Rot. Bonds

About 3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one

3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one (PubChem CID 45087299) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one
PubChem CID45087299
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1OC(=O)N(C)C1C
InChIInChI=1S/C6H9NO2/c1-4-5(2)9-6(8)7(4)3/h4H,2H2,1,3H3
InChIKeyZQRJSBWZQUNCPU-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one (CID 45087299) is 3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one is C=C1OC(=O)N(C)C1C.
What is the InChIKey of 3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one?
The InChIKey is ZQRJSBWZQUNCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-5(2)9-6(8)7(4)3/h4H,2H2,1,3H3.
What are the key properties of 3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one?
3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 45087299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).