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

C12H16N2O2 — CID 171565091

IUPAC1-[(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
InChIInChI=1S/C12H16N2O2/c1-4-10(6-5-9(2)3)14-8-7-11(15)13-12(14)16/h4-6H,1,7-8H2,2-3H3,(H,13,15,16)/b10-6+
InChIKeyUBVXVSBREHCCCW-UXBLZVDNSA-N
MW220.27 g/mol
LogP1.96
Rot. Bonds3

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

1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 171565091) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
PubChem CID171565091
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[(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
InChIInChI=1S/C12H16N2O2/c1-4-10(6-5-9(2)3)14-8-7-11(15)13-12(14)16/h4-6H,1,7-8H2,2-3H3,(H,13,15,16)/b10-6+
InChIKeyUBVXVSBREHCCCW-UXBLZVDNSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.96
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
1-(3-Methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
CID 19904711
5-But-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione
CID 123410516
(5E)-5-[(Z)-but-2-enylidene]-3-methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 142210669
1-ethyl-5-methyl-6-[(Z)-prop-1-enyl]pyrimidine-2,4-dione
CID 143872724
1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-diazinane-2,4,6-trione
CID 144329113
1-[(2-Oxo-1-prop-2-enyl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 156176688
1-[(1-Iodo-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 156187181
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione (CID 171565091) is 1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 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.
What is the InChIKey of 1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is UBVXVSBREHCCCW-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-10(6-5-9(2)3)14-8-7-11(15)13-12(14)16/h4-6H,1,7-8H2,2-3H3,(H,13,15,16)/b10-6+.
What are the key properties of 1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione?
1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 220.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171565091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).