5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione

C12H18N2O2 — CID 91265806

IUPAC5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione
SMILESC=c1c(=CC)c(=O)n(C)c(=O)n1CC(C)C
InChIInChI=1S/C12H18N2O2/c1-6-10-9(4)14(7-8(2)3)12(16)13(5)11(10)15/h6,8H,4,7H2,1-3,5H3
InChIKeyDNIULEKSMWPWIL-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.59
Rot. Bonds2

About 5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione

5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione (PubChem CID 91265806) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione
PubChem CID91265806
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione
SMILESC=c1c(=CC)c(=O)n(C)c(=O)n1CC(C)C
InChIInChI=1S/C12H18N2O2/c1-6-10-9(4)14(7-8(2)3)12(16)13(5)11(10)15/h6,8H,4,7H2,1-3,5H3
InChIKeyDNIULEKSMWPWIL-UHFFFAOYSA-N
XLogP-0.59
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione (CID 91265806) is 5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione is C=c1c(=CC)c(=O)n(C)c(=O)n1CC(C)C.
What is the InChIKey of 5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione?
The InChIKey is DNIULEKSMWPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-6-10-9(4)14(7-8(2)3)12(16)13(5)11(10)15/h6,8H,4,7H2,1-3,5H3.
What are the key properties of 5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione?
5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of -0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-3-methyl-6-methylidene-1-(2-methylpropyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 91265806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).