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

C10H10N2O3 — CID 176682095

IUPAC1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione
SMILESC=C/C=C(\C=C)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C10H10N2O3/c1-3-5-7(4-2)12-9(14)6-8(13)11-10(12)15/h3-5H,1-2,6H2,(H,11,13,15)/b7-5+
InChIKeyCMWAXSPURBBVRA-FNORWQNLSA-N
MW206.20 g/mol
LogP0.71
Rot. Bonds3

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

1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione (PubChem CID 176682095) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione
PubChem CID176682095
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione
SMILESC=C/C=C(\C=C)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C10H10N2O3/c1-3-5-7(4-2)12-9(14)6-8(13)11-10(12)15/h3-5H,1-2,6H2,(H,11,13,15)/b7-5+
InChIKeyCMWAXSPURBBVRA-FNORWQNLSA-N
XLogP0.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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
ethane;2-methylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-diazinan-4-one
CID 171083949
ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
CID 171565174
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
CID 171565222
ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione
CID 171565229
Actinium;1-phenyl-1,3-diazinane-2,4-dione;propane
CID 176713566
2-methylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-diazinan-4-one
CID 171083950
1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
CID 171565091
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
CID 171565223
1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione
CID 171565230
1-[(1E)-1-aminobuta-1,3-dien-2-yl]-1,3-diazinane-2,4-dione
CID 177361980

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione (CID 176682095) is 1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione is C=C/C=C(\C=C)N1C(=O)CC(=O)NC1=O.
What is the InChIKey of 1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione?
The InChIKey is CMWAXSPURBBVRA-FNORWQNLSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-3-5-7(4-2)12-9(14)6-8(13)11-10(12)15/h3-5H,1-2,6H2,(H,11,13,15)/b7-5+.
What are the key properties of 1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione?
1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione has a molecular weight of 206.20 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 176682095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).