(3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione

C14H10Cl2O3 — CID 10063189

IUPAC(3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione
SMILESCC(C)=C1C(=O)OC(=O)/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2O3/c1-7(2)12-9(13(17)19-14(12)18)6-8-10(15)4-3-5-11(8)16/h3-6H,1-2H3/b9-6-
InChIKeyYXNPDRLSGKWUAA-TWGQIWQCSA-N
MW297.14 g/mol
LogP3.80
Rot. Bonds1

About (3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione

(3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione (PubChem CID 10063189) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is (3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione
PubChem CID10063189
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name(3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione
SMILESCC(C)=C1C(=O)OC(=O)/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2O3/c1-7(2)12-9(13(17)19-14(12)18)6-8-10(15)4-3-5-11(8)16/h3-6H,1-2H3/b9-6-
InChIKeyYXNPDRLSGKWUAA-TWGQIWQCSA-N
XLogP3.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-4-[(2,6-dichlorophenyl)methylidene]-1,2-oxazol-5-one
CID 53407389
(3E)-3-[(2,6-dichlorophenyl)methylidene]-5-thiophen-2-ylfuran-2-one
CID 126059496
4-[(2,6-dichlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2726243
(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one
CID 42556106
(5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one
CID 20787767
(3E)-3-[(2,6-dichlorophenyl)methylidene]oxolan-2-one
CID 171376642
2,6-dichlorobenzaldehyde;ethane
CID 90823593
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2252407
(2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
CID 47022586
1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene
CID 134266599
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460
1-acetyl-3-[(2,6-dichlorophenyl)methylidene]piperazine-2,5-dione
CID 54072145

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione?
The IUPAC name of (3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione (CID 10063189) is (3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione.
What is the SMILES notation for (3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione?
The canonical SMILES for (3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione is CC(C)=C1C(=O)OC(=O)/C1=C\c1c(Cl)cccc1Cl.
What is the InChIKey of (3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione?
The InChIKey is YXNPDRLSGKWUAA-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c1-7(2)12-9(13(17)19-14(12)18)6-8-10(15)4-3-5-11(8)16/h3-6H,1-2H3/b9-6-.
What are the key properties of (3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione?
(3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione has a molecular weight of 297.14 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione is sourced from PubChem (CID 10063189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).