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

C14H20N2O2 — CID 171565229

IUPACethane;1-[(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.CC
InChIInChI=1S/C12H14N2O2.C2H6/c1-3-5-6-7-10(4-2)14-9-8-11(15)13-12(14)16;1-2/h3-7H,1-2,8-9H2,(H,13,15,16);1-2H3/b6-5-,10-7+;
InChIKeyWRHFAFXRMYOWMO-CPJPUNAFSA-N
MW248.33 g/mol
LogP2.77
Rot. Bonds4

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

ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 171565229) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione
PubChem CID171565229
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethane;1-[(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.CC
InChIInChI=1S/C12H14N2O2.C2H6/c1-3-5-6-7-10(4-2)14-9-8-11(15)13-12(14)16;1-2/h3-7H,1-2,8-9H2,(H,13,15,16);1-2H3/b6-5-,10-7+;
InChIKeyWRHFAFXRMYOWMO-CPJPUNAFSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione (CID 171565229) is ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is WRHFAFXRMYOWMO-CPJPUNAFSA-N. The full InChI is InChI=1S/C12H14N2O2.C2H6/c1-3-5-6-7-10(4-2)14-9-8-11(15)13-12(14)16;1-2/h3-7H,1-2,8-9H2,(H,13,15,16);1-2H3/b6-5-,10-7+;.
What are the key properties of ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione?
ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 248.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171565229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).