ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione

C16H28N2O2 — CID 171565090

IUPACethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C(=C\C=C(C)C)N1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C12H16N2O2.2C2H6/c1-4-10(6-5-9(2)3)14-8-7-11(15)13-12(14)16;2*1-2/h4-6H,1,7-8H2,2-3H3,(H,13,15,16);2*1-2H3/b10-6+;;
InChIKeyFDYNORLGHFZKSE-DOLBFOAYSA-N
MW280.41 g/mol
LogP4.02
Rot. Bonds3

About ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione

ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 171565090) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
PubChem CID171565090
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C(=C\C=C(C)C)N1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C12H16N2O2.2C2H6/c1-4-10(6-5-9(2)3)14-8-7-11(15)13-12(14)16;2*1-2/h4-6H,1,7-8H2,2-3H3,(H,13,15,16);2*1-2H3/b10-6+;;
InChIKeyFDYNORLGHFZKSE-DOLBFOAYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.02
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-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
CID 144982590
(5E)-5-[(Z)-but-2-enylidene]-3-methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 142210669
1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-diazinane-2,4,6-trione
CID 144329113
(5E)-5-[(2E,4Z)-5-(dimethylamino)-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
CID 144530679
1-[(2-Oxo-1-prop-2-enyl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 156176688
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
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
1-[(2E)-penta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
CID 167250267
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
CID 167250435

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione (CID 171565090) is ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione is C=C/C(=C\C=C(C)C)N1CCC(=O)NC1=O.CC.CC.
What is the InChIKey of ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is FDYNORLGHFZKSE-DOLBFOAYSA-N. The full InChI is InChI=1S/C12H16N2O2.2C2H6/c1-4-10(6-5-9(2)3)14-8-7-11(15)13-12(14)16;2*1-2/h4-6H,1,7-8H2,2-3H3,(H,13,15,16);2*1-2H3/b10-6+;;.
What are the key properties of ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 280.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171565090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).