1-methyl-1,3-diazinan-2-one

C5H10N2O — CID 12867748

IUPAC1-methyl-1,3-diazinan-2-one
SMILESCN1CCCNC1=O
InChIInChI=1S/C5H10N2O/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)
InChIKeyCOYPZADTXISTSJ-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.03
Rot. Bonds

About 1-methyl-1,3-diazinan-2-one

1-methyl-1,3-diazinan-2-one (PubChem CID 12867748) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-methyl-1,3-diazinan-2-one
PubChem CID12867748
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name1-methyl-1,3-diazinan-2-one
SMILESCN1CCCNC1=O
InChIInChI=1S/C5H10N2O/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)
InChIKeyCOYPZADTXISTSJ-UHFFFAOYSA-N
XLogP0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-methyl-1,3-diazinan-2-one (CID 12867748) is 1-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-methyl-1,3-diazinan-2-one is CN1CCCNC1=O.
What is the InChIKey of 1-methyl-1,3-diazinan-2-one?
The InChIKey is COYPZADTXISTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8).
What are the key properties of 1-methyl-1,3-diazinan-2-one?
1-methyl-1,3-diazinan-2-one has a molecular weight of 114.15 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 12867748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).