(4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one

C20H19NO2 — CID 171187535

IUPAC(4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N[C@@H]1c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H19NO2/c1-20(2)12-23-19(22)21-18(20)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11,18H,12H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeySWVZBESBRHWOIA-GOSISDBHSA-N
MW305.38 g/mol
LogP4.80
Rot. Bonds1

About (4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one

(4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 171187535) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID171187535
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N[C@@H]1c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H19NO2/c1-20(2)12-23-19(22)21-18(20)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11,18H,12H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeySWVZBESBRHWOIA-GOSISDBHSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188717
(4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187289
(4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171187804
(4S)-5,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one
CID 171188455
(4R)-5,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one
CID 171187073
(4S)-4-(2,6-dichlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187548
(4S)-5,5-dimethyl-4-(2,3,5,6-tetrafluorophenyl)-1,3-oxazinan-2-one
CID 171188505
(4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171188148
(4R)-5,5-dimethyl-4-(2-methylphenyl)-1,3-oxazinan-2-one
CID 171188493
(4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one
CID 171186947
(4R)-5,5-dimethyl-4-(2,4,6-trihydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187522
(4R)-4-(4-methoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188689

Frequently Asked Questions

What is the IUPAC name of (4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one (CID 171187535) is (4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one is CC1(C)COC(=O)N[C@@H]1c1c2ccccc2cc2ccccc12.
What is the InChIKey of (4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is SWVZBESBRHWOIA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19NO2/c1-20(2)12-23-19(22)21-18(20)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11,18H,12H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one?
(4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 305.38 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 171187535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).