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

C6H9NO2 — CID 45087298

IUPAC(5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one
SMILESC/C=C1/CN(C)C(=O)O1
InChIInChI=1S/C6H9NO2/c1-3-5-4-7(2)6(8)9-5/h3H,4H2,1-2H3/b5-3-
InChIKeyPPOUMTUVFOLERA-HYXAFXHYSA-N
MW127.14 g/mol
LogP0.97
Rot. Bonds

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

(5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one (PubChem CID 45087298) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one
PubChem CID45087298
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one
SMILESC/C=C1/CN(C)C(=O)O1
InChIInChI=1S/C6H9NO2/c1-3-5-4-7(2)6(8)9-5/h3H,4H2,1-2H3/b5-3-
InChIKeyPPOUMTUVFOLERA-HYXAFXHYSA-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 (5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one (CID 45087298) is (5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one is C/C=C1/CN(C)C(=O)O1.
What is the InChIKey of (5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is PPOUMTUVFOLERA-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-5-4-7(2)6(8)9-5/h3H,4H2,1-2H3/b5-3-.
What are the key properties of (5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one?
(5Z)-5-ethylidene-3-methyl-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 (5Z)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 45087298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).