5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one

C11H13ClN2O — CID 78207197

IUPAC5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one
SMILESCC1NC(c2ccccc2)NC(=O)C1Cl
InChIInChI=1S/C11H13ClN2O/c1-7-9(12)11(15)14-10(13-7)8-5-3-2-4-6-8/h2-7,9-10,13H,1H3,(H,14,15)
InChIKeyILDXIPVLJZIZFH-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.40
Rot. Bonds1

About 5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one

5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one (PubChem CID 78207197) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one
PubChem CID78207197
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one
SMILESCC1NC(c2ccccc2)NC(=O)C1Cl
InChIInChI=1S/C11H13ClN2O/c1-7-9(12)11(15)14-10(13-7)8-5-3-2-4-6-8/h2-7,9-10,13H,1H3,(H,14,15)
InChIKeyILDXIPVLJZIZFH-UHFFFAOYSA-N
XLogP1.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one
CID 78205838
(2R,3R,6S,7R)-3,6-dimethyl-2,7-diphenyl-1,4-diazepan-5-one
CID 15038927
(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one
CID 15432500
(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
CID 98010170
2-(3-hydroxyphenyl)-5-methylimidazolidin-4-one
CID 126989517
2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one
CID 78268048
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
(4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one
CID 154994053
(3R)-3-methyl-5-phenylpyrrolidin-2-one
CID 155223213
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one?
The IUPAC name of 5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one (CID 78207197) is 5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one.
What is the SMILES notation for 5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one?
The canonical SMILES for 5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one is CC1NC(c2ccccc2)NC(=O)C1Cl.
What is the InChIKey of 5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one?
The InChIKey is ILDXIPVLJZIZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7-9(12)11(15)14-10(13-7)8-5-3-2-4-6-8/h2-7,9-10,13H,1H3,(H,14,15).
What are the key properties of 5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one?
5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one has a molecular weight of 224.69 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one is sourced from PubChem (CID 78207197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).