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

C6H9NO2 — CID 132820769

IUPAC3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1C(C)OC(=O)N1C
InChIInChI=1S/C6H9NO2/c1-4-5(2)9-6(8)7(4)3/h5H,1H2,2-3H3
InChIKeyONXAVHJJSFWMIT-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.97
Rot. Bonds

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

3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one (PubChem CID 132820769) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
PubChem CID132820769
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1C(C)OC(=O)N1C
InChIInChI=1S/C6H9NO2/c1-4-5(2)9-6(8)7(4)3/h5H,1H2,2-3H3
InChIKeyONXAVHJJSFWMIT-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

Analyze 3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one (CID 132820769) is 3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one is C=C1C(C)OC(=O)N1C.
What is the InChIKey of 3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The InChIKey is ONXAVHJJSFWMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-5(2)9-6(8)7(4)3/h5H,1H2,2-3H3.
What are the key properties of 3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
3,5-dimethyl-4-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 3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 132820769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).