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

C9H9ClN2O2 — CID 139376179

IUPAC(5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione
SMILESC=C/C=c1/c(=O)[nH]c(=O)[nH]/c1=C(/C)Cl
InChIInChI=1S/C9H9ClN2O2/c1-3-4-6-7(5(2)10)11-9(14)12-8(6)13/h3-4H,1H2,2H3,(H2,11,12,13,14)/b6-4+,7-5-
InChIKeyZZDHLYJJSZRAFG-GUBXDBFYSA-N
MW212.64 g/mol
LogP-0.60
Rot. Bonds1

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

(5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione (PubChem CID 139376179) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is (5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione
PubChem CID139376179
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name(5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione
SMILESC=C/C=c1/c(=O)[nH]c(=O)[nH]/c1=C(/C)Cl
InChIInChI=1S/C9H9ClN2O2/c1-3-4-6-7(5(2)10)11-9(14)12-8(6)13/h3-4H,1H2,2H3,(H2,11,12,13,14)/b6-4+,7-5-
InChIKeyZZDHLYJJSZRAFG-GUBXDBFYSA-N
XLogP-0.60
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione?
The IUPAC name of (5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione (CID 139376179) is (5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for (5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione is C=C/C=c1/c(=O)[nH]c(=O)[nH]/c1=C(/C)Cl.
What is the InChIKey of (5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione?
The InChIKey is ZZDHLYJJSZRAFG-GUBXDBFYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-3-4-6-7(5(2)10)11-9(14)12-8(6)13/h3-4H,1H2,2H3,(H2,11,12,13,14)/b6-4+,7-5-.
What are the key properties of (5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione?
(5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione has a molecular weight of 212.64 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-6-(1-chloroethylidene)-5-prop-2-enylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 139376179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).