3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one

C8H11NO2 — CID 59933068

IUPAC3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one
SMILESC=c1c(=C(C)C)oc(=O)n1C
InChIInChI=1S/C8H11NO2/c1-5(2)7-6(3)9(4)8(10)11-7/h3H2,1-2,4H3
InChIKeyWHVUSGVAANLALU-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.42
Rot. Bonds

About 3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one

3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one (PubChem CID 59933068) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one
PubChem CID59933068
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one
SMILESC=c1c(=C(C)C)oc(=O)n1C
InChIInChI=1S/C8H11NO2/c1-5(2)7-6(3)9(4)8(10)11-7/h3H2,1-2,4H3
InChIKeyWHVUSGVAANLALU-UHFFFAOYSA-N
XLogP-0.42
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one (CID 59933068) is 3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one is C=c1c(=C(C)C)oc(=O)n1C.
What is the InChIKey of 3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one?
The InChIKey is WHVUSGVAANLALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(2)7-6(3)9(4)8(10)11-7/h3H2,1-2,4H3.
What are the key properties of 3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one?
3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one has a molecular weight of 153.18 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidene-5-propan-2-ylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 59933068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).