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

C14H26N2O2 — CID 177003125

IUPACethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C(=C\CC)N1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C10H14N2O2.2C2H6/c1-3-5-8(4-2)12-7-6-9(13)11-10(12)14;2*1-2/h4-5H,2-3,6-7H2,1H3,(H,11,13,14);2*1-2H3/b8-5+;;
InChIKeyOLUPNMRQCZJHMI-RMZRELHQSA-N
MW254.37 g/mol
LogP3.46
Rot. Bonds3

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

ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 177003125) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
PubChem CID177003125
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C(=C\CC)N1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C10H14N2O2.2C2H6/c1-3-5-8(4-2)12-7-6-9(13)11-10(12)14;2*1-2/h4-5H,2-3,6-7H2,1H3,(H,11,13,14);2*1-2H3/b8-5+;;
InChIKeyOLUPNMRQCZJHMI-RMZRELHQSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.46
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

3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea
CID 60472215
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-dimethylurea
CID 72060937
1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
CID 144982590
1-(4-Methylpent-2-enyl)-1,3-diazinane-2,4,6-trione
CID 70531797
2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
CID 71019141
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
ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
CID 142360228
1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione
CID 142360270

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione (CID 177003125) is ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione is C=C/C(=C\CC)N1CCC(=O)NC1=O.CC.CC.
What is the InChIKey of ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is OLUPNMRQCZJHMI-RMZRELHQSA-N. The full InChI is InChI=1S/C10H14N2O2.2C2H6/c1-3-5-8(4-2)12-7-6-9(13)11-10(12)14;2*1-2/h4-5H,2-3,6-7H2,1H3,(H,11,13,14);2*1-2H3/b8-5+;;.
What are the key properties of ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 254.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177003125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).