ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium

C13H20NO2U- — CID 166091369

IUPACethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium
SMILESC=C/C(C(=O)N[C-]=O)=C(\C=C/C)CC.CC.[U]
InChIInChI=1S/C11H14NO2.C2H6.U/c1-4-7-9(5-2)10(6-3)11(14)12-8-13;1-2;/h4,6-7H,3,5H2,1-2H3,(H,12,13,14);1-2H3;/q-1;;/b7-4-,10-9+;;
InChIKeyFAUJTUVFDUFEST-YZXLICHQSA-N
MW460.34 g/mol
LogP2.66
Rot. Bonds5

About ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium

ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium (PubChem CID 166091369) has the molecular formula C13H20NO2U- and a molecular weight of 460.34 g/mol. Its IUPAC name is ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium.

Molecular Properties

Compound Nameethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium
PubChem CID166091369
Molecular FormulaC13H20NO2U-
Molecular Weight460.34 g/mol
Exact Mass460.20
IUPAC Nameethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium
SMILESC=C/C(C(=O)N[C-]=O)=C(\C=C/C)CC.CC.[U]
InChIInChI=1S/C11H14NO2.C2H6.U/c1-4-7-9(5-2)10(6-3)11(14)12-8-13;1-2;/h4,6-7H,3,5H2,1-2H3,(H,12,13,14);1-2H3;/q-1;;/b7-4-,10-9+;;
InChIKeyFAUJTUVFDUFEST-YZXLICHQSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 145032190
oct-6-ene-3,5-dione
CID 54438744
(Z)-3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]hex-2-enoic acid
CID 168936695
(4E)-5-bromo-4-[(Z)-prop-1-enyl]hepta-4,6-dien-2-one
CID 142230705
5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene
CID 123219391
ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten
CID 178102306
ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol
CID 143682761
1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene
CID 143819695
(2Z,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-triene;ethane;propan-2-one
CID 144596817
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium?
The IUPAC name of ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium (CID 166091369) is ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium.
What is the SMILES notation for ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium?
The canonical SMILES for ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium is C=C/C(C(=O)N[C-]=O)=C(\C=C/C)CC.CC.[U].
What is the InChIKey of ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium?
The InChIKey is FAUJTUVFDUFEST-YZXLICHQSA-N. The full InChI is InChI=1S/C11H14NO2.C2H6.U/c1-4-7-9(5-2)10(6-3)11(14)12-8-13;1-2;/h4,6-7H,3,5H2,1-2H3,(H,12,13,14);1-2H3;/q-1;;/b7-4-,10-9+;;.
What are the key properties of ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium?
ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium has a molecular weight of 460.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium is sourced from PubChem (CID 166091369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).