(5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione

C14H20N2O2 — CID 142842599

IUPAC(5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione
SMILESC/C=C\C=c1\c(=O)n(C(C)(C)C)c(=O)[nH]\c1=C\C
InChIInChI=1S/C14H20N2O2/c1-6-8-9-10-11(7-2)15-13(18)16(12(10)17)14(3,4)5/h6-9H,1-5H3,(H,15,18)/b8-6-,10-9+,11-7+
InChIKeyHZUVNDCXNBJTIU-CLZVIZHTSA-N
MW248.33 g/mol
LogP0.45
Rot. Bonds1

About (5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione

(5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione (PubChem CID 142842599) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione
PubChem CID142842599
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione
SMILESC/C=C\C=c1\c(=O)n(C(C)(C)C)c(=O)[nH]\c1=C\C
InChIInChI=1S/C14H20N2O2/c1-6-8-9-10-11(7-2)15-13(18)16(12(10)17)14(3,4)5/h6-9H,1-5H3,(H,15,18)/b8-6-,10-9+,11-7+
InChIKeyHZUVNDCXNBJTIU-CLZVIZHTSA-N
XLogP0.45
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione?
The IUPAC name of (5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione (CID 142842599) is (5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for (5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione is C/C=C\C=c1\c(=O)n(C(C)(C)C)c(=O)[nH]\c1=C\C.
What is the InChIKey of (5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione?
The InChIKey is HZUVNDCXNBJTIU-CLZVIZHTSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-6-8-9-10-11(7-2)15-13(18)16(12(10)17)14(3,4)5/h6-9H,1-5H3,(H,15,18)/b8-6-,10-9+,11-7+.
What are the key properties of (5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione?
(5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione has a molecular weight of 248.33 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 142842599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).