5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione

C9H14N2O2 — CID 23383514

IUPAC5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1NC(=O)NC(=O)C1C(C)(C)C
InChIInChI=1S/C9H14N2O2/c1-5-6(9(2,3)4)7(12)11-8(13)10-5/h6H,1H2,2-4H3,(H2,10,11,12,13)
InChIKeyFUXDGABIEPLGLI-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.00
Rot. Bonds

About 5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione

5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione (PubChem CID 23383514) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione
PubChem CID23383514
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1NC(=O)NC(=O)C1C(C)(C)C
InChIInChI=1S/C9H14N2O2/c1-5-6(9(2,3)4)7(12)11-8(13)10-5/h6H,1H2,2-4H3,(H2,10,11,12,13)
InChIKeyFUXDGABIEPLGLI-UHFFFAOYSA-N
XLogP1.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methylidene-5-prop-2-enyl-1,3-diazinane-2,4-dione
CID 60015064
5-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 60079342
Ethane;5-methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143251897
2,2-Dimethylpropane;6-methylidene-1,3-diazinane-2,4-dione
CID 159081500
5-Ethenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 23422611
Carbonyl(acetyl) methylene-4-pyrimidinone
CID 129802019
5-Tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione
CID 159119621

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione (CID 23383514) is 5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione is C=C1NC(=O)NC(=O)C1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione?
The InChIKey is FUXDGABIEPLGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-6(9(2,3)4)7(12)11-8(13)10-5/h6H,1H2,2-4H3,(H2,10,11,12,13).
What are the key properties of 5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione?
5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-methylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 23383514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).