1-methyl-3-phenyl-1,3-diazinane-2,5-dione

C11H12N2O2 — CID 22323527

IUPAC1-methyl-3-phenyl-1,3-diazinane-2,5-dione
SMILESCN1CC(=O)CN(c2ccccc2)C1=O
InChIInChI=1S/C11H12N2O2/c1-12-7-10(14)8-13(11(12)15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyRSGQAVWZXAQFEP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.13
Rot. Bonds1

About 1-methyl-3-phenyl-1,3-diazinane-2,5-dione

1-methyl-3-phenyl-1,3-diazinane-2,5-dione (PubChem CID 22323527) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-methyl-3-phenyl-1,3-diazinane-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-phenyl-1,3-diazinane-2,5-dione
PubChem CID22323527
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-methyl-3-phenyl-1,3-diazinane-2,5-dione
SMILESCN1CC(=O)CN(c2ccccc2)C1=O
InChIInChI=1S/C11H12N2O2/c1-12-7-10(14)8-13(11(12)15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyRSGQAVWZXAQFEP-UHFFFAOYSA-N
XLogP1.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-1,3-diazinane-2,5-dione?
The IUPAC name of 1-methyl-3-phenyl-1,3-diazinane-2,5-dione (CID 22323527) is 1-methyl-3-phenyl-1,3-diazinane-2,5-dione.
What is the SMILES notation for 1-methyl-3-phenyl-1,3-diazinane-2,5-dione?
The canonical SMILES for 1-methyl-3-phenyl-1,3-diazinane-2,5-dione is CN1CC(=O)CN(c2ccccc2)C1=O.
What is the InChIKey of 1-methyl-3-phenyl-1,3-diazinane-2,5-dione?
The InChIKey is RSGQAVWZXAQFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-12-7-10(14)8-13(11(12)15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 1-methyl-3-phenyl-1,3-diazinane-2,5-dione?
1-methyl-3-phenyl-1,3-diazinane-2,5-dione has a molecular weight of 204.23 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-1,3-diazinane-2,5-dione is sourced from PubChem (CID 22323527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).