3-methyl-1H-perimidin-2-one

C12H10N2O — CID 715306

IUPAC3-methyl-1H-perimidin-2-one
SMILESCN1C(=O)Nc2cccc3cccc1c23
InChIInChI=1S/C12H10N2O/c1-14-10-7-3-5-8-4-2-6-9(11(8)10)13-12(14)15/h2-7H,1H3,(H,13,15)
InChIKeySMWDBXBOXHLGSR-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.82
Rot. Bonds

About 3-methyl-1H-perimidin-2-one

3-methyl-1H-perimidin-2-one (PubChem CID 715306) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-methyl-1H-perimidin-2-one.

Molecular Properties

Compound Name3-methyl-1H-perimidin-2-one
PubChem CID715306
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name3-methyl-1H-perimidin-2-one
SMILESCN1C(=O)Nc2cccc3cccc1c23
InChIInChI=1S/C12H10N2O/c1-14-10-7-3-5-8-4-2-6-9(11(8)10)13-12(14)15/h2-7H,1H3,(H,13,15)
InChIKeySMWDBXBOXHLGSR-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-perimidin-2-one?
The IUPAC name of 3-methyl-1H-perimidin-2-one (CID 715306) is 3-methyl-1H-perimidin-2-one.
What is the SMILES notation for 3-methyl-1H-perimidin-2-one?
The canonical SMILES for 3-methyl-1H-perimidin-2-one is CN1C(=O)Nc2cccc3cccc1c23.
What is the InChIKey of 3-methyl-1H-perimidin-2-one?
The InChIKey is SMWDBXBOXHLGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-14-10-7-3-5-8-4-2-6-9(11(8)10)13-12(14)15/h2-7H,1H3,(H,13,15).
What are the key properties of 3-methyl-1H-perimidin-2-one?
3-methyl-1H-perimidin-2-one has a molecular weight of 198.22 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-perimidin-2-one is sourced from PubChem (CID 715306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).