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

C9H10N2O2 — CID 122491490

IUPAC(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
InChIInChI=1S/C9H10N2O2/c1-3-5-7-6(4-2)8(12)11-9(13)10-7/h3-5H,1H2,2H3,(H2,10,11,12,13)/b6-4+,7-5+
InChIKeyIKAJDTMYSHWETB-YDFGWWAZSA-N
MW178.19 g/mol
LogP-1.17
Rot. Bonds1

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

(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione (PubChem CID 122491490) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione
PubChem CID122491490
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(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
InChIInChI=1S/C9H10N2O2/c1-3-5-7-6(4-2)8(12)11-9(13)10-7/h3-5H,1H2,2H3,(H2,10,11,12,13)/b6-4+,7-5+
InChIKeyIKAJDTMYSHWETB-YDFGWWAZSA-N
XLogP-1.17
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione?
The IUPAC name of (5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione (CID 122491490) is (5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for (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.
What is the InChIKey of (5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione?
The InChIKey is IKAJDTMYSHWETB-YDFGWWAZSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-5-7-6(4-2)8(12)11-9(13)10-7/h3-5H,1H2,2H3,(H2,10,11,12,13)/b6-4+,7-5+.
What are the key properties of (5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione?
(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione has a molecular weight of 178.19 g/mol, XLogP of -1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5-ethylidene-6-prop-2-enylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 122491490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).