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

C11H16N2O2 — CID 142131338

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

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

ethane;(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione (PubChem CID 142131338) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethane;(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione
PubChem CID142131338
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethane;(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione
SMILESC=C/C=c1/[nH]c(=O)[nH]c(=O)/c1=C/C.CC
InChIInChI=1S/C9H10N2O2.C2H6/c1-3-5-7-6(4-2)8(12)11-9(13)10-7;1-2/h3-5H,1H2,2H3,(H2,10,11,12,13);1-2H3/b6-4+,7-5+;
InChIKeyCJLBIXIKRYEOTD-GWDFKRKCSA-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)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione (CID 142131338) is ethane;(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione is C=C/C=c1/[nH]c(=O)[nH]c(=O)/c1=C/C.CC.
What is the InChIKey of ethane;(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione?
The InChIKey is CJLBIXIKRYEOTD-GWDFKRKCSA-N. The full InChI is InChI=1S/C9H10N2O2.C2H6/c1-3-5-7-6(4-2)8(12)11-9(13)10-7;1-2/h3-5H,1H2,2H3,(H2,10,11,12,13);1-2H3/b6-4+,7-5+;.
What are the key properties of ethane;(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione?
ethane;(5E,6E)-5-ethylidene-6-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)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 142131338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).