1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione

C8H10N2O2 — CID 20718287

IUPAC1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione
SMILESC=c1c(=O)n(C)c(=C)n(C)c1=O
InChIInChI=1S/C8H10N2O2/c1-5-7(11)9(3)6(2)10(4)8(5)12/h1-2H2,3-4H3
InChIKeyRHIGLQQFDBOIPU-UHFFFAOYSA-N
MW166.18 g/mol
LogP-2.10
Rot. Bonds

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

1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione (PubChem CID 20718287) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione
PubChem CID20718287
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione
SMILESC=c1c(=O)n(C)c(=C)n(C)c1=O
InChIInChI=1S/C8H10N2O2/c1-5-7(11)9(3)6(2)10(4)8(5)12/h1-2H2,3-4H3
InChIKeyRHIGLQQFDBOIPU-UHFFFAOYSA-N
XLogP-2.10
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione (CID 20718287) is 1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione is C=c1c(=O)n(C)c(=C)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione?
The InChIKey is RHIGLQQFDBOIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-7(11)9(3)6(2)10(4)8(5)12/h1-2H2,3-4H3.
What are the key properties of 1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione?
1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione has a molecular weight of 166.18 g/mol, XLogP of -2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,5-dimethylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 20718287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).