1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione

C11H14N2O2 — CID 171565223

IUPAC1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C(=C\C=C/C)N1CCC(=O)NC1=O
InChIInChI=1S/C11H14N2O2/c1-3-5-6-9(4-2)13-8-7-10(14)12-11(13)15/h3-6H,2,7-8H2,1H3,(H,12,14,15)/b5-3-,9-6+
InChIKeyGOQMTUWMUUVMIJ-PAEKIZANSA-N
MW206.25 g/mol
LogP1.57
Rot. Bonds3

About 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione

1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 171565223) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
PubChem CID171565223
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C(=C\C=C/C)N1CCC(=O)NC1=O
InChIInChI=1S/C11H14N2O2/c1-3-5-6-9(4-2)13-8-7-10(14)12-11(13)15/h3-6H,2,7-8H2,1H3,(H,12,14,15)/b5-3-,9-6+
InChIKeyGOQMTUWMUUVMIJ-PAEKIZANSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione
CID 171565229
1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione
CID 171565230
1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
CID 172570074
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine
CID 167290609
1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione
CID 79778176
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2H-tetrazole-5-thione;methanol
CID 143084586
(3,5-dimethylphenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate
CID 170263282
1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one
CID 143373088
7-methoxy-5-prop-2-enoyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 139015344
ethane;(3E,5Z)-3-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-one;3-methylpiperidine-2,6-dione
CID 153330323
ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one
CID 143177606
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole
CID 144631854

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione (CID 171565223) is 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione is C=C/C(=C\C=C/C)N1CCC(=O)NC1=O.
What is the InChIKey of 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is GOQMTUWMUUVMIJ-PAEKIZANSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-5-6-9(4-2)13-8-7-10(14)12-11(13)15/h3-6H,2,7-8H2,1H3,(H,12,14,15)/b5-3-,9-6+.
What are the key properties of 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 206.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171565223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).