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

C11H14N2O — CID 15056537

IUPAC1-(3-methylphenyl)diazinan-3-one
SMILESCc1cccc(N2CCCC(=O)N2)c1
InChIInChI=1S/C11H14N2O/c1-9-4-2-5-10(8-9)13-7-3-6-11(14)12-13/h2,4-5,8H,3,6-7H2,1H3,(H,12,14)
InChIKeyQUZPQHKSCMJQCK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.63
Rot. Bonds1

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

1-(3-methylphenyl)diazinan-3-one (PubChem CID 15056537) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(3-methylphenyl)diazinan-3-one.

Molecular Properties

Compound Name1-(3-methylphenyl)diazinan-3-one
PubChem CID15056537
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(3-methylphenyl)diazinan-3-one
SMILESCc1cccc(N2CCCC(=O)N2)c1
InChIInChI=1S/C11H14N2O/c1-9-4-2-5-10(8-9)13-7-3-6-11(14)12-13/h2,4-5,8H,3,6-7H2,1H3,(H,12,14)
InChIKeyQUZPQHKSCMJQCK-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-(3-methylphenyl)diazinan-3-one?
The IUPAC name of 1-(3-methylphenyl)diazinan-3-one (CID 15056537) is 1-(3-methylphenyl)diazinan-3-one.
What is the SMILES notation for 1-(3-methylphenyl)diazinan-3-one?
The canonical SMILES for 1-(3-methylphenyl)diazinan-3-one is Cc1cccc(N2CCCC(=O)N2)c1.
What is the InChIKey of 1-(3-methylphenyl)diazinan-3-one?
The InChIKey is QUZPQHKSCMJQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-4-2-5-10(8-9)13-7-3-6-11(14)12-13/h2,4-5,8H,3,6-7H2,1H3,(H,12,14).
What are the key properties of 1-(3-methylphenyl)diazinan-3-one?
1-(3-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-(3-methylphenyl)diazinan-3-one is sourced from PubChem (CID 15056537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).