1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione

C11H18N2O2 — CID 54136300

IUPAC1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione
SMILESC=C1N(CC)C(=O)C(C)(C)C(=O)N1CC
InChIInChI=1S/C11H18N2O2/c1-6-12-8(3)13(7-2)10(15)11(4,5)9(12)14/h3,6-7H2,1-2,4-5H3
InChIKeyNXXZVPTZIHHRDZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.19
Rot. Bonds2

About 1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione

1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione (PubChem CID 54136300) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione
PubChem CID54136300
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione
SMILESC=C1N(CC)C(=O)C(C)(C)C(=O)N1CC
InChIInChI=1S/C11H18N2O2/c1-6-12-8(3)13(7-2)10(15)11(4,5)9(12)14/h3,6-7H2,1-2,4-5H3
InChIKeyNXXZVPTZIHHRDZ-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione (CID 54136300) is 1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione is C=C1N(CC)C(=O)C(C)(C)C(=O)N1CC.
What is the InChIKey of 1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione?
The InChIKey is NXXZVPTZIHHRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-6-12-8(3)13(7-2)10(15)11(4,5)9(12)14/h3,6-7H2,1-2,4-5H3.
What are the key properties of 1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione?
1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione has a molecular weight of 210.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 54136300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).