1-(2-methylphenyl)diazinan-3-one

C11H14N2O — CID 15056538

IUPAC1-(2-methylphenyl)diazinan-3-one
SMILESCc1ccccc1N1CCCC(=O)N1
InChIInChI=1S/C11H14N2O/c1-9-5-2-3-6-10(9)13-8-4-7-11(14)12-13/h2-3,5-6H,4,7-8H2,1H3,(H,12,14)
InChIKeyXDCQPSHQRZRJQZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.63
Rot. Bonds1

About 1-(2-methylphenyl)diazinan-3-one

1-(2-methylphenyl)diazinan-3-one (PubChem CID 15056538) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(2-methylphenyl)diazinan-3-one.

Molecular Properties

Compound Name1-(2-methylphenyl)diazinan-3-one
PubChem CID15056538
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(2-methylphenyl)diazinan-3-one
SMILESCc1ccccc1N1CCCC(=O)N1
InChIInChI=1S/C11H14N2O/c1-9-5-2-3-6-10(9)13-8-4-7-11(14)12-13/h2-3,5-6H,4,7-8H2,1H3,(H,12,14)
InChIKeyXDCQPSHQRZRJQZ-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)diazinan-3-one?
The IUPAC name of 1-(2-methylphenyl)diazinan-3-one (CID 15056538) is 1-(2-methylphenyl)diazinan-3-one.
What is the SMILES notation for 1-(2-methylphenyl)diazinan-3-one?
The canonical SMILES for 1-(2-methylphenyl)diazinan-3-one is Cc1ccccc1N1CCCC(=O)N1.
What is the InChIKey of 1-(2-methylphenyl)diazinan-3-one?
The InChIKey is XDCQPSHQRZRJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-5-2-3-6-10(9)13-8-4-7-11(14)12-13/h2-3,5-6H,4,7-8H2,1H3,(H,12,14).
What are the key properties of 1-(2-methylphenyl)diazinan-3-one?
1-(2-methylphenyl)diazinan-3-one has a molecular weight of 190.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)diazinan-3-one is sourced from PubChem (CID 15056538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).