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

Name: (5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₆H₉NO₂ — CID 139241459

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(5E)-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-HWKANZROSA-N

MW127.14 g/mol

LogP0.97

Rot. Bonds

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

(5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one (PubChem CID 139241459) has the molecular formula C₆H₉NO₂ and a molecular weight of 127.14 g/mol. Its IUPAC name is (5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name	(5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one
PubChem CID	139241459
Molecular Formula	C₆H₉NO₂
Molecular Weight	127.14 g/mol
Exact Mass	127.06
IUPAC Name	(5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one
SMILES	C/C=C1\CN(C)C(=O)O1
InChI	InChI=1S/C6H9NO2/c1-3-5-4-7(2)6(8)9-5/h3H,4H2,1-2H3/b5-3+
InChIKey	PPOUMTUVFOLERA-HWKANZROSA-N
XLogP	0.97
TPSA	29.54 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	9
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	127.14
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one?

The IUPAC name of (5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one (CID 139241459) is (5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for (5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one is C/C=C1\CN(C)C(=O)O1.

What is the InChIKey of (5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one?

The InChIKey is PPOUMTUVFOLERA-HWKANZROSA-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 (5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one?

(5E)-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 (5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139241459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139241459 — identifiers, structure, computed properties (public domain)

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