3-(4-chlorophenyl)-1,3-oxazinan-2-one

C10H10ClNO2 — CID 13450496

IUPAC3-(4-chlorophenyl)-1,3-oxazinan-2-one
SMILESO=C1OCCCN1c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c11-8-2-4-9(5-3-8)12-6-1-7-14-10(12)13/h2-5H,1,6-7H2
InChIKeyGCNLWDQYTMEVHL-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.69
Rot. Bonds1

About 3-(4-chlorophenyl)-1,3-oxazinan-2-one

3-(4-chlorophenyl)-1,3-oxazinan-2-one (PubChem CID 13450496) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,3-oxazinan-2-one
PubChem CID13450496
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name3-(4-chlorophenyl)-1,3-oxazinan-2-one
SMILESO=C1OCCCN1c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c11-8-2-4-9(5-3-8)12-6-1-7-14-10(12)13/h2-5H,1,6-7H2
InChIKeyGCNLWDQYTMEVHL-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one
CID 104549227
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
3-[4-[(5S)-5-[(methylideneamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazinan-2-one
CID 58777768
3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one
CID 58845375
3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 107575225
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one
CID 62635265
3-(2-oxo-1,3-oxazinan-3-yl)benzonitrile
CID 79686638
3-(3-chloro-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 58394005
3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one
CID 107612952
3-(4-cyclohexylphenyl)-1,3-oxazolidin-2-one
CID 170782737
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1,3-oxazinan-2-one (CID 13450496) is 3-(4-chlorophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1,3-oxazinan-2-one is O=C1OCCCN1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1,3-oxazinan-2-one?
The InChIKey is GCNLWDQYTMEVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-2-4-9(5-3-8)12-6-1-7-14-10(12)13/h2-5H,1,6-7H2.
What are the key properties of 3-(4-chlorophenyl)-1,3-oxazinan-2-one?
3-(4-chlorophenyl)-1,3-oxazinan-2-one has a molecular weight of 211.65 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 13450496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).