1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione

C10H14N2O2 — CID 172604880

IUPAC1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C(=C\CC)N1CCC(=O)NC1=O
InChIInChI=1S/C10H14N2O2/c1-3-5-8(4-2)12-7-6-9(13)11-10(12)14/h4-5H,2-3,6-7H2,1H3,(H,11,13,14)/b8-5+
InChIKeyGADDNWXHKFBLKN-VMPITWQZSA-N
MW194.23 g/mol
LogP1.41
Rot. Bonds3

About 1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione

1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 172604880) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
PubChem CID172604880
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C(=C\CC)N1CCC(=O)NC1=O
InChIInChI=1S/C10H14N2O2/c1-3-5-8(4-2)12-7-6-9(13)11-10(12)14/h4-5H,2-3,6-7H2,1H3,(H,11,13,14)/b8-5+
InChIKeyGADDNWXHKFBLKN-VMPITWQZSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.41
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

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-propylacetamide
CID 2149960
1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
CID 144982590
5-fluoro-1-[(E)-pent-3-enyl]-1,3-diazinane-2,4,6-trione
CID 116038223
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide
CID 60704693
1-(4-Methylpent-2-enyl)-1,3-diazinane-2,4,6-trione
CID 70531797
3-(1-Methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide
CID 123239471
1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
CID 134553753
4a,5-dihydro-1H-pyrimido[4,5-a]indolizine-2,4-dione
CID 141415549
4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione
CID 141415558
1,4a,5,7-Tetrahydropyrimido[4,5-a]pyrrolizine-2,4-dione
CID 141415579
(5E)-5-[(Z)-but-2-enylidene]-3-methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 142210669
ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
CID 142360228

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione (CID 172604880) is 1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione is C=C/C(=C\CC)N1CCC(=O)NC1=O.
What is the InChIKey of 1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is GADDNWXHKFBLKN-VMPITWQZSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-5-8(4-2)12-7-6-9(13)11-10(12)14/h4-5H,2-3,6-7H2,1H3,(H,11,13,14)/b8-5+.
What are the key properties of 1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 194.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 172604880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).