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

C13H20N2O2 — CID 171565222

IUPACethane;1-[(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.CC
InChIInChI=1S/C11H14N2O2.C2H6/c1-3-5-6-9(4-2)13-8-7-10(14)12-11(13)15;1-2/h3-6H,2,7-8H2,1H3,(H,12,14,15);1-2H3/b5-3-,9-6+;
InChIKeyFBRDEUWSYDDAHX-XRVNEYCPSA-N
MW236.31 g/mol
LogP2.60
Rot. Bonds3

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

ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 171565222) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
PubChem CID171565222
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethane;1-[(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.CC
InChIInChI=1S/C11H14N2O2.C2H6/c1-3-5-6-9(4-2)13-8-7-10(14)12-11(13)15;1-2/h3-6H,2,7-8H2,1H3,(H,12,14,15);1-2H3/b5-3-,9-6+;
InChIKeyFBRDEUWSYDDAHX-XRVNEYCPSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.60
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

1,9a-Dihydropyrido[1,2-a]pyrimidine-2,4-dione
CID 351417
1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
CID 144982590
1-(1,2-Dihydro-1-methyl-2-oxo-3-pyridinyl)dihydro-2,4(1H,3H)-pyrimidinedione
CID 155261434
1,2,3,6-Tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70042605
2-Methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 141088034
1-[(1-Methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 156187731
1-(3-Ethyl-3-methylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione
CID 156187734
1-[(2-Oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 156193569
Ruthenium(1+);1-(3-sulfanylbenzene-6-id-1-yl)-1,3-diazinane-2,4-dione
CID 156706986
1-[(1-Butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen
CID 156706992
1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione
CID 156707021
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 164099079

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione (CID 171565222) is ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is FBRDEUWSYDDAHX-XRVNEYCPSA-N. The full InChI is InChI=1S/C11H14N2O2.C2H6/c1-3-5-6-9(4-2)13-8-7-10(14)12-11(13)15;1-2/h3-6H,2,7-8H2,1H3,(H,12,14,15);1-2H3/b5-3-,9-6+;.
What are the key properties of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 236.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171565222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).