3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one

C11H12ClNO2 — CID 58845375

IUPAC3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccc(N2CCCOC2=O)c(Cl)c1
InChIInChI=1S/C11H12ClNO2/c1-8-3-4-10(9(12)7-8)13-5-2-6-15-11(13)14/h3-4,7H,2,5-6H2,1H3
InChIKeyZLJBZCVRJRZKNL-UHFFFAOYSA-N
MW225.68 g/mol
LogP3.00
Rot. Bonds1

About 3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one

3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 58845375) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one
PubChem CID58845375
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccc(N2CCCOC2=O)c(Cl)c1
InChIInChI=1S/C11H12ClNO2/c1-8-3-4-10(9(12)7-8)13-5-2-6-15-11(13)14/h3-4,7H,2,5-6H2,1H3
InChIKeyZLJBZCVRJRZKNL-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one (CID 58845375) is 3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one is Cc1ccc(N2CCCOC2=O)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is ZLJBZCVRJRZKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-8-3-4-10(9(12)7-8)13-5-2-6-15-11(13)14/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one?
3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one has a molecular weight of 225.68 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 58845375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).