(5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione

C12H11NO3 — CID 50918091

IUPAC(5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione
SMILESCCN1C(=O)O/C(=C\c2ccccc2)C1=O
InChIInChI=1S/C12H11NO3/c1-2-13-11(14)10(16-12(13)15)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
InChIKeyKYZOXFDTXWDXHF-NTMALXAHSA-N
MW217.22 g/mol
LogP2.03
Rot. Bonds2

About (5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione

(5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione (PubChem CID 50918091) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione
PubChem CID50918091
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name(5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione
SMILESCCN1C(=O)O/C(=C\c2ccccc2)C1=O
InChIInChI=1S/C12H11NO3/c1-2-13-11(14)10(16-12(13)15)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
InChIKeyKYZOXFDTXWDXHF-NTMALXAHSA-N
XLogP2.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5,5-Dimethyl-3-(phenylmethyl)-2,4-oxazolidinedione
CID 232547
3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 10657387
3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 92020209
3-Cinnamoyloxazolidin-2-one
CID 677095
(5Z)-3-benzyl-5-benzylidene-1,3-oxazolidine-2,4-dione
CID 50917911
3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 10515014
3-[4-(Trifluoromethyl)cinnamoyl]oxazolidine-2-one
CID 12015650
2-Oxazolidinone, 3-(1-oxo-3-phenyl-2-propenyl)-
CID 677094
(S)-4-Isopropyl-3-(3-phenylacryloyl)oxazolidin-2-one
CID 10355199
5-Benzylidene-1,3-oxazolidine-2,4-dione
CID 53789033
5-Benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one
CID 72683265
5-Benzylidene-3-ethyl-2-thioxo-oxazolidin-4-one
CID 85589475

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione (CID 50918091) is (5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione is CCN1C(=O)O/C(=C\c2ccccc2)C1=O.
What is the InChIKey of (5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is KYZOXFDTXWDXHF-NTMALXAHSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-13-11(14)10(16-12(13)15)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-.
What are the key properties of (5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione?
(5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 217.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 50918091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).