ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione

C11H16N2O2 — CID 143571983

IUPACethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione
SMILESC=C/C=c1/c(=O)[nH]c(=O)[nH]/c1=C/C.CC
InChIInChI=1S/C9H10N2O2.C2H6/c1-3-5-6-7(4-2)10-9(13)11-8(6)12;1-2/h3-5H,1H2,2H3,(H2,10,11,12,13);1-2H3/b6-5+,7-4+;
InChIKeyAUPLRZGUGZYDDO-CSXYFPIISA-N
MW208.26 g/mol
LogP-0.14
Rot. Bonds1

About ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione

ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione (PubChem CID 143571983) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione
PubChem CID143571983
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione
SMILESC=C/C=c1/c(=O)[nH]c(=O)[nH]/c1=C/C.CC
InChIInChI=1S/C9H10N2O2.C2H6/c1-3-5-6-7(4-2)10-9(13)11-8(6)12;1-2/h3-5H,1H2,2H3,(H2,10,11,12,13);1-2H3/b6-5+,7-4+;
InChIKeyAUPLRZGUGZYDDO-CSXYFPIISA-N
XLogP-0.14
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione (CID 143571983) is ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione is C=C/C=c1/c(=O)[nH]c(=O)[nH]/c1=C/C.CC.
What is the InChIKey of ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione?
The InChIKey is AUPLRZGUGZYDDO-CSXYFPIISA-N. The full InChI is InChI=1S/C9H10N2O2.C2H6/c1-3-5-6-7(4-2)10-9(13)11-8(6)12;1-2/h3-5H,1H2,2H3,(H2,10,11,12,13);1-2H3/b6-5+,7-4+;.
What are the key properties of ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione?
ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6E)-6-ethylidene-5-prop-2-enylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 143571983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).