1-acetyl-1,3-diazinan-2-one

C6H10N2O2 — CID 14678122

IUPAC1-acetyl-1,3-diazinan-2-one
SMILESCC(=O)N1CCCNC1=O
InChIInChI=1S/C6H10N2O2/c1-5(9)8-4-2-3-7-6(8)10/h2-4H2,1H3,(H,7,10)
InChIKeyORYUSEHLRDFZSB-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.05
Rot. Bonds

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

1-acetyl-1,3-diazinan-2-one (PubChem CID 14678122) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-acetyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-acetyl-1,3-diazinan-2-one
PubChem CID14678122
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-acetyl-1,3-diazinan-2-one
SMILESCC(=O)N1CCCNC1=O
InChIInChI=1S/C6H10N2O2/c1-5(9)8-4-2-3-7-6(8)10/h2-4H2,1H3,(H,7,10)
InChIKeyORYUSEHLRDFZSB-UHFFFAOYSA-N
XLogP-0.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-1,3-diazinan-2-one?
The IUPAC name of 1-acetyl-1,3-diazinan-2-one (CID 14678122) is 1-acetyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-acetyl-1,3-diazinan-2-one?
The canonical SMILES for 1-acetyl-1,3-diazinan-2-one is CC(=O)N1CCCNC1=O.
What is the InChIKey of 1-acetyl-1,3-diazinan-2-one?
The InChIKey is ORYUSEHLRDFZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(9)8-4-2-3-7-6(8)10/h2-4H2,1H3,(H,7,10).
What are the key properties of 1-acetyl-1,3-diazinan-2-one?
1-acetyl-1,3-diazinan-2-one has a molecular weight of 142.16 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-1,3-diazinan-2-one is sourced from PubChem (CID 14678122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).