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

C6H9NO2 — CID 139241459

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 CID139241459
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(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
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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Related Compounds

2-Oxazolidinone, 3-methyl-5-methylene-
CID 10103138
3-Butyl-5-methyleneoxazolidin-2-one
CID 10702044
5-Methylene-3-propyl-oxazolidin-2-one
CID 13925891
4-Fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one
CID 123807595
(5Z)-3-methyl-5-(2-methylpropylidene)-1,3-oxazolidin-2-one
CID 73055756
2-Oxazolidinone, 5-ethylidene-3-methyl-
CID 85997649
(5Z)-3-methyl-5-propylidene-1,3-oxazolidin-2-one
CID 102228193
(5Z)-3-ethyl-5-ethylidene-1,3-oxazolidin-2-one
CID 102228197
(5Z)-5-ethylidene-3-propyl-1,3-oxazolidin-2-one
CID 102347063
N-methylallyloxazolidinone
CID 132280368
3-Isopropyl-5-ethylidene-1,3-oxazolidin-2-one
CID 132493887
3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one
CID 132539503

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).