(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen

C15H25FN2O3 — CID 153385187

IUPAC(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen
SMILESC=C(/C=C\C=C(/C)F)C(=O)NC1CCC(=O)NC1=O.CC.[H][H].[H][H]
InChIInChI=1S/C13H15FN2O3.C2H6.2H2/c1-8(4-3-5-9(2)14)12(18)15-10-6-7-11(17)16-13(10)19;1-2;;/h3-5,10H,1,6-7H2,2H3,(H,15,18)(H,16,17,19);1-2H3;2*1H/b4-3-,9-5+;;;
InChIKeyUJPKBFNHWJFWLX-HTMWJHCYSA-N
MW300.37 g/mol
LogP2.41
Rot. Bonds4

About (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen

(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen (PubChem CID 153385187) has the molecular formula C15H25FN2O3 and a molecular weight of 300.37 g/mol. Its IUPAC name is (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen
PubChem CID153385187
Molecular FormulaC15H25FN2O3
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen
SMILESC=C(/C=C\C=C(/C)F)C(=O)NC1CCC(=O)NC1=O.CC.[H][H].[H][H]
InChIInChI=1S/C13H15FN2O3.C2H6.2H2/c1-8(4-3-5-9(2)14)12(18)15-10-6-7-11(17)16-13(10)19;1-2;;/h3-5,10H,1,6-7H2,2H3,(H,15,18)(H,16,17,19);1-2H3;2*1H/b4-3-,9-5+;;;
InChIKeyUJPKBFNHWJFWLX-HTMWJHCYSA-N
XLogP2.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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CID 176695806
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CID 170590516
(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
(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane
CID 172587311
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
(Z)-N-(2,6-dioxopiperidin-3-yl)-5-[3-(5-fluoro-2-pyridinyl)prop-2-ynoylamino]-5-methyl-2-methylidenehex-3-enamide
CID 167288450
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen?
The IUPAC name of (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen (CID 153385187) is (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen.
What is the SMILES notation for (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen?
The canonical SMILES for (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen is C=C(/C=C\C=C(/C)F)C(=O)NC1CCC(=O)NC1=O.CC.[H][H].[H][H].
What is the InChIKey of (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen?
The InChIKey is UJPKBFNHWJFWLX-HTMWJHCYSA-N. The full InChI is InChI=1S/C13H15FN2O3.C2H6.2H2/c1-8(4-3-5-9(2)14)12(18)15-10-6-7-11(17)16-13(10)19;1-2;;/h3-5,10H,1,6-7H2,2H3,(H,15,18)(H,16,17,19);1-2H3;2*1H/b4-3-,9-5+;;;.
What are the key properties of (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen?
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen has a molecular weight of 300.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen is sourced from PubChem (CID 153385187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).