ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione

C15H28N2O2 — CID 143914958

IUPACethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione
SMILESCC.CC.CC/C=c1/[nH]c(=O)n(C)c(=O)/c1=C/CC
InChIInChI=1S/C11H16N2O2.2C2H6/c1-4-6-8-9(7-5-2)12-11(15)13(3)10(8)14;2*1-2/h6-7H,4-5H2,1-3H3,(H,12,15);2*1-2H3/b8-6+,9-7+;;
InChIKeyOWGDGPDDTHJGFU-IWBCLEKBSA-N
MW268.40 g/mol
LogP1.51
Rot. Bonds2

About ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione

ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione (PubChem CID 143914958) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione
PubChem CID143914958
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione
SMILESCC.CC.CC/C=c1/[nH]c(=O)n(C)c(=O)/c1=C/CC
InChIInChI=1S/C11H16N2O2.2C2H6/c1-4-6-8-9(7-5-2)12-11(15)13(3)10(8)14;2*1-2/h6-7H,4-5H2,1-3H3,(H,12,15);2*1-2H3/b8-6+,9-7+;;
InChIKeyOWGDGPDDTHJGFU-IWBCLEKBSA-N
XLogP1.51
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione (CID 143914958) is ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione is CC.CC.CC/C=c1/[nH]c(=O)n(C)c(=O)/c1=C/CC.
What is the InChIKey of ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione?
The InChIKey is OWGDGPDDTHJGFU-IWBCLEKBSA-N. The full InChI is InChI=1S/C11H16N2O2.2C2H6/c1-4-6-8-9(7-5-2)12-11(15)13(3)10(8)14;2*1-2/h6-7H,4-5H2,1-3H3,(H,12,15);2*1-2H3/b8-6+,9-7+;;.
What are the key properties of ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione?
ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione has a molecular weight of 268.40 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6E)-3-methyl-5,6-di(propylidene)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 143914958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).