ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene

C23H36N2O4S — CID 143274925

IUPACethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene
SMILESC/C=C\CC.C=C/C(=C\C)n1sc(=O)n(CC(=C)C)c1=O.C=CC1=COCO1.CC
InChIInChI=1S/C11H14N2O2S.C5H6O2.C5H10.C2H6/c1-5-9(6-2)13-10(14)12(7-8(3)4)11(15)16-13;1-2-5-3-6-4-7-5;1-3-5-4-2;1-2/h5-6H,1,3,7H2,2,4H3;2-3H,1,4H2;3,5H,4H2,1-2H3;1-2H3/b9-6+;;5-3-;
InChIKeyKSVCCLAONXPRGC-NDWALICISA-N
MW436.62 g/mol
LogP5.71
Rot. Bonds6

About ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene

ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene (PubChem CID 143274925) has the molecular formula C23H36N2O4S and a molecular weight of 436.62 g/mol. Its IUPAC name is ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene.

Molecular Properties

Compound Nameethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene
PubChem CID143274925
Molecular FormulaC23H36N2O4S
Molecular Weight436.62 g/mol
Exact Mass436.24
IUPAC Nameethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene
SMILESC/C=C\CC.C=C/C(=C\C)n1sc(=O)n(CC(=C)C)c1=O.C=CC1=COCO1.CC
InChIInChI=1S/C11H14N2O2S.C5H6O2.C5H10.C2H6/c1-5-9(6-2)13-10(14)12(7-8(3)4)11(15)16-13;1-2-5-3-6-4-7-5;1-3-5-4-2;1-2/h5-6H,1,3,7H2,2,4H3;2-3H,1,4H2;3,5H,4H2,1-2H3;1-2H3/b9-6+;;5-3-;
InChIKeyKSVCCLAONXPRGC-NDWALICISA-N
XLogP5.71
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene with MolForge

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Related Compounds

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ethane;ethene;(E)-pent-2-ene
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but-1-ene;(Z)-pent-2-ene
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methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene
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(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione
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ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(4E)-2-methylhexa-1,4-diene
CID 5367524
4-[(E)-2-[(2E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]ethenyl]-N,N-dimethylaniline;(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene;(Z)-pent-2-ene
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3-methylidenehepta-1,5-dienylbenzene
CID 90998971
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
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2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene?
The IUPAC name of ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene (CID 143274925) is ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene.
What is the SMILES notation for ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene?
The canonical SMILES for ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene is C/C=C\CC.C=C/C(=C\C)n1sc(=O)n(CC(=C)C)c1=O.C=CC1=COCO1.CC.
What is the InChIKey of ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene?
The InChIKey is KSVCCLAONXPRGC-NDWALICISA-N. The full InChI is InChI=1S/C11H14N2O2S.C5H6O2.C5H10.C2H6/c1-5-9(6-2)13-10(14)12(7-8(3)4)11(15)16-13;1-2-5-3-6-4-7-5;1-3-5-4-2;1-2/h5-6H,1,3,7H2,2,4H3;2-3H,1,4H2;3,5H,4H2,1-2H3;1-2H3/b9-6+;;5-3-;.
What are the key properties of ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene?
ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene has a molecular weight of 436.62 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene is sourced from PubChem (CID 143274925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).