(5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one

C12H11Cl2NO2 — CID 142294800

IUPAC(5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one
SMILESCC(Cl)(Cl)C1NC(=O)/C(=C/c2ccccc2)O1
InChIInChI=1S/C12H11Cl2NO2/c1-12(13,14)11-15-10(16)9(17-11)7-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,15,16)/b9-7-
InChIKeyFIRQDYADLNFSQT-CLFYSBASSA-N
MW272.13 g/mol
LogP2.69
Rot. Bonds2

About (5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one

(5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one (PubChem CID 142294800) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one
PubChem CID142294800
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name(5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one
SMILESCC(Cl)(Cl)C1NC(=O)/C(=C/c2ccccc2)O1
InChIInChI=1S/C12H11Cl2NO2/c1-12(13,14)11-15-10(16)9(17-11)7-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,15,16)/b9-7-
InChIKeyFIRQDYADLNFSQT-CLFYSBASSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one
CID 139303549
(5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide
CID 158289261
(2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one
CID 92857038
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
(3Z,5R)-3-benzylidene-5-methyl-1,4-dioxan-2-one
CID 134855366
(2E)-2-benzylidene-6-methyl-4H-1,4-benzoxazin-3-one
CID 124643521
(3Z)-3-benzylidene-1-methoxy-1,4-dihydrofuro[3,4-b]indole
CID 135022384
4-benzylidenepyrazolidine-3,5-dione
CID 68539282
(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl)methylidene]piperazine-2,5-dione
CID 143429465
(2E)-6-amino-2-benzylidene-4H-1,4-benzoxazin-3-one
CID 28862933
(4Z)-4-benzylidene-3-methylisochromen-1-one
CID 101269564
3-benzylidene-6-propylidenepiperazine-2,5-dione
CID 3866178

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one (CID 142294800) is (5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one is CC(Cl)(Cl)C1NC(=O)/C(=C/c2ccccc2)O1.
What is the InChIKey of (5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one?
The InChIKey is FIRQDYADLNFSQT-CLFYSBASSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c1-12(13,14)11-15-10(16)9(17-11)7-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,15,16)/b9-7-.
What are the key properties of (5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one?
(5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one has a molecular weight of 272.13 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-(1,1-dichloroethyl)-1,3-oxazolidin-4-one is sourced from PubChem (CID 142294800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).