5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione

C11H18N2O2 — CID 10608523

IUPAC5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
SMILESC=C1CN(C(C)C)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C11H18N2O2/c1-7(2)12-6-9(5)10(14)13(8(3)4)11(12)15/h7-8H,5-6H2,1-4H3
InChIKeyGRWQJMNQKVMJAM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.62
Rot. Bonds2

About 5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione

5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione (PubChem CID 10608523) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
PubChem CID10608523
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
SMILESC=C1CN(C(C)C)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C11H18N2O2/c1-7(2)12-6-9(5)10(14)13(8(3)4)11(12)15/h7-8H,5-6H2,1-4H3
InChIKeyGRWQJMNQKVMJAM-UHFFFAOYSA-N
XLogP1.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 60644562
(3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one
CID 146527350
1-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18669456
2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one
CID 145121125
1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane
CID 157428700
1-methyl-3-propan-2-ylimidazolidin-2-one
CID 14177967
1-(3-methylbutan-2-yl)-3-methylidenepyrrolidin-2-one
CID 155354880
1-propan-2-yl-3-tripropylsilylimidazolidine-2,4-dione
CID 140848590
3-(oxetan-3-yl)-1-propan-2-ylimidazolidine-2,4-dione
CID 171735403
5-ethenylidene-1-ethyl-3-propan-2-ylimidazolidine-2,4-dione
CID 162700876
1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine
CID 161254467
deuterium monohydride;2-methylidene-3-propan-2-ylimidazolidin-4-one
CID 159139539

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione (CID 10608523) is 5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione is C=C1CN(C(C)C)C(=O)N(C(C)C)C1=O.
What is the InChIKey of 5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione?
The InChIKey is GRWQJMNQKVMJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)12-6-9(5)10(14)13(8(3)4)11(12)15/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione?
5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10608523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).