(5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one

C9H15NO2 — CID 135080346

IUPAC(5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C/C(=C/C(C)(C)C)OC1=O
InChIInChI=1S/C9H15NO2/c1-9(2,3)5-7-6-10(4)8(11)12-7/h5H,6H2,1-4H3/b7-5-
InChIKeyFIFCLZLVGWMAMB-ALCCZGGFSA-N
MW169.22 g/mol
LogP2.00
Rot. Bonds

About (5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one

(5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 135080346) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one
PubChem CID135080346
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C/C(=C/C(C)(C)C)OC1=O
InChIInChI=1S/C9H15NO2/c1-9(2,3)5-7-6-10(4)8(11)12-7/h5H,6H2,1-4H3/b7-5-
InChIKeyFIFCLZLVGWMAMB-ALCCZGGFSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one (CID 135080346) is (5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one is CN1C/C(=C/C(C)(C)C)OC1=O.
What is the InChIKey of (5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is FIFCLZLVGWMAMB-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,3)5-7-6-10(4)8(11)12-7/h5H,6H2,1-4H3/b7-5-.
What are the key properties of (5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one?
(5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2,2-dimethylpropylidene)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135080346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).