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

C14H22N2O2 — CID 171565174

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
InChIInChI=1S/C12H16N2O2.C2H6/c1-4-10(6-5-9(2)3)14-8-7-11(15)13-12(14)16;1-2/h4-6H,1,7-8H2,2-3H3,(H,13,15,16);1-2H3/b10-6+;
InChIKeyBOMFTWFWEDYWRA-AAGWESIMSA-N
MW250.34 g/mol
LogP2.99
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 171565174) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 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 CID171565174
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
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
InChIInChI=1S/C12H16N2O2.C2H6/c1-4-10(6-5-9(2)3)14-8-7-11(15)13-12(14)16;1-2/h4-6H,1,7-8H2,2-3H3,(H,13,15,16);1-2H3/b10-6+;
InChIKeyBOMFTWFWEDYWRA-AAGWESIMSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 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 171565174) 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.
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 BOMFTWFWEDYWRA-AAGWESIMSA-N. The full InChI is InChI=1S/C12H16N2O2.C2H6/c1-4-10(6-5-9(2)3)14-8-7-11(15)13-12(14)16;1-2/h4-6H,1,7-8H2,2-3H3,(H,13,15,16);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 250.34 g/mol, XLogP of 2.99, 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 171565174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).