1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione

C12H14N2O2 — CID 171565230

IUPAC1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C\C=C(/C=C)N1CCC(=O)NC1=O
InChIInChI=1S/C12H14N2O2/c1-3-5-6-7-10(4-2)14-9-8-11(15)13-12(14)16/h3-7H,1-2,8-9H2,(H,13,15,16)/b6-5-,10-7+
InChIKeyRIOSTTBENYNJOL-ZZWPSLBBSA-N
MW218.26 g/mol
LogP1.74
Rot. Bonds4

About 1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione

1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 171565230) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione
PubChem CID171565230
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C\C=C(/C=C)N1CCC(=O)NC1=O
InChIInChI=1S/C12H14N2O2/c1-3-5-6-7-10(4-2)14-9-8-11(15)13-12(14)16/h3-7H,1-2,8-9H2,(H,13,15,16)/b6-5-,10-7+
InChIKeyRIOSTTBENYNJOL-ZZWPSLBBSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione
CID 171565229
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
CID 171565223
1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
CID 172570074
ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]pyrrole-2,5-dione
CID 144507908
piperidine-2,6-dione;prop-2-enoic acid
CID 69098530
(3,5-dimethylphenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate
CID 170263282
1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione
CID 79778176
7-methoxy-5-prop-2-enoyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 139015344
3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid
CID 13085943
2-(2,4-dioxo-1,3-diazinan-1-yl)acetaldehyde
CID 78174573
(3-methoxyphenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate
CID 155196034
1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione
CID 166116956

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione (CID 171565230) is 1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(3E,5Z)-octa-1,3,5,7-tetraen-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,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is RIOSTTBENYNJOL-ZZWPSLBBSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-5-6-7-10(4-2)14-9-8-11(15)13-12(14)16/h3-7H,1-2,8-9H2,(H,13,15,16)/b6-5-,10-7+.
What are the key properties of 1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione?
1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 218.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171565230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).