(4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one

C9H11NO2 — CID 178087607

IUPAC(4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one
SMILESC=C(C)/C=c1\c(=C)oc(=O)n1C
InChIInChI=1S/C9H11NO2/c1-6(2)5-8-7(3)12-9(11)10(8)4/h5H,1,3H2,2,4H3/b8-5+
InChIKeyQBGUYNGRPMYFCD-VMPITWQZSA-N
MW165.19 g/mol
LogP-0.25
Rot. Bonds1

About (4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one

(4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one (PubChem CID 178087607) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one
PubChem CID178087607
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one
SMILESC=C(C)/C=c1\c(=C)oc(=O)n1C
InChIInChI=1S/C9H11NO2/c1-6(2)5-8-7(3)12-9(11)10(8)4/h5H,1,3H2,2,4H3/b8-5+
InChIKeyQBGUYNGRPMYFCD-VMPITWQZSA-N
XLogP-0.25
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one?
The IUPAC name of (4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one (CID 178087607) is (4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one?
The canonical SMILES for (4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one is C=C(C)/C=c1\c(=C)oc(=O)n1C.
What is the InChIKey of (4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one?
The InChIKey is QBGUYNGRPMYFCD-VMPITWQZSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6(2)5-8-7(3)12-9(11)10(8)4/h5H,1,3H2,2,4H3/b8-5+.
What are the key properties of (4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one?
(4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one has a molecular weight of 165.19 g/mol, XLogP of -0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one is sourced from PubChem (CID 178087607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).