2-(3-chlorophenyl)diazinan-3-one

C10H11ClN2O — CID 83533672

IUPAC2-(3-chlorophenyl)diazinan-3-one
SMILESO=C1CCCNN1c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2O/c11-8-3-1-4-9(7-8)13-10(14)5-2-6-12-13/h1,3-4,7,12H,2,5-6H2
InChIKeyHILGIRJUYRQKJP-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.97
Rot. Bonds1

About 2-(3-chlorophenyl)diazinan-3-one

2-(3-chlorophenyl)diazinan-3-one (PubChem CID 83533672) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)diazinan-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)diazinan-3-one
PubChem CID83533672
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-(3-chlorophenyl)diazinan-3-one
SMILESO=C1CCCNN1c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2O/c11-8-3-1-4-9(7-8)13-10(14)5-2-6-12-13/h1,3-4,7,12H,2,5-6H2
InChIKeyHILGIRJUYRQKJP-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)diazinan-3-one?
The IUPAC name of 2-(3-chlorophenyl)diazinan-3-one (CID 83533672) is 2-(3-chlorophenyl)diazinan-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)diazinan-3-one?
The canonical SMILES for 2-(3-chlorophenyl)diazinan-3-one is O=C1CCCNN1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)diazinan-3-one?
The InChIKey is HILGIRJUYRQKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-8-3-1-4-9(7-8)13-10(14)5-2-6-12-13/h1,3-4,7,12H,2,5-6H2.
What are the key properties of 2-(3-chlorophenyl)diazinan-3-one?
2-(3-chlorophenyl)diazinan-3-one has a molecular weight of 210.66 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)diazinan-3-one is sourced from PubChem (CID 83533672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).