(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane

C14H19N3O4 — CID 172587311

IUPAC(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane
SMILESC.C=C/C(C(=O)NC1CCC(=O)NC1=O)=C(\C=C/C)N=O
InChIInChI=1S/C13H15N3O4.CH4/c1-3-5-9(16-20)8(4-2)12(18)14-10-6-7-11(17)15-13(10)19;/h3-5,10H,2,6-7H2,1H3,(H,14,18)(H,15,17,19);1H4/b5-3-,9-8-;
InChIKeyDWHFPXADRUMYOJ-LXRDNANOSA-N
MW293.32 g/mol
LogP1.33
Rot. Bonds5

About (2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane

(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane (PubChem CID 172587311) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane.

Molecular Properties

Compound Name(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane
PubChem CID172587311
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane
SMILESC.C=C/C(C(=O)NC1CCC(=O)NC1=O)=C(\C=C/C)N=O
InChIInChI=1S/C13H15N3O4.CH4/c1-3-5-9(16-20)8(4-2)12(18)14-10-6-7-11(17)15-13(10)19;/h3-5,10H,2,6-7H2,1H3,(H,14,18)(H,15,17,19);1H4/b5-3-,9-8-;
InChIKeyDWHFPXADRUMYOJ-LXRDNANOSA-N
XLogP1.33
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
CID 176573991
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten
CID 156866667
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen
CID 153385187
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide
CID 177240315
1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten
CID 156866610
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
CID 177240314
N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide
CID 170009871
N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280076
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane?
The IUPAC name of (2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane (CID 172587311) is (2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane.
What is the SMILES notation for (2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane?
The canonical SMILES for (2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane is C.C=C/C(C(=O)NC1CCC(=O)NC1=O)=C(\C=C/C)N=O.
What is the InChIKey of (2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane?
The InChIKey is DWHFPXADRUMYOJ-LXRDNANOSA-N. The full InChI is InChI=1S/C13H15N3O4.CH4/c1-3-5-9(16-20)8(4-2)12(18)14-10-6-7-11(17)15-13(10)19;/h3-5,10H,2,6-7H2,1H3,(H,14,18)(H,15,17,19);1H4/b5-3-,9-8-;.
What are the key properties of (2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane?
(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane has a molecular weight of 293.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane is sourced from PubChem (CID 172587311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).