(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one

C10H9Cl2NO2 — CID 171184906

IUPAC(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C10H9Cl2NO2/c11-7-2-1-6(5-8(7)12)9-3-4-15-10(14)13-9/h1-2,5,9H,3-4H2,(H,13,14)/t9-/m1/s1
InChIKeyDNTDTJJEVVYBAZ-SECBINFHSA-N
MW246.09 g/mol
LogP3.16
Rot. Bonds1

About (4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one

(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one (PubChem CID 171184906) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is (4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
PubChem CID171184906
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C10H9Cl2NO2/c11-7-2-1-6(5-8(7)12)9-3-4-15-10(14)13-9/h1-2,5,9H,3-4H2,(H,13,14)/t9-/m1/s1
InChIKeyDNTDTJJEVVYBAZ-SECBINFHSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazinan-2-one
CID 131626496
(4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171185811
(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185245
(4S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171186001
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070
(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131593675
(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
CID 171185502
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one (CID 171184906) is (4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one is O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of (4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one?
The InChIKey is DNTDTJJEVVYBAZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c11-7-2-1-6(5-8(7)12)9-3-4-15-10(14)13-9/h1-2,5,9H,3-4H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one?
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one has a molecular weight of 246.09 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 171184906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).