(6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one

C14H18N2O4 — CID 67351700

IUPAC(6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one
SMILESCC(C)(C)N1C[C@H](c2ccc([N+](=O)[O-])cc2)OCC1=O
InChIInChI=1S/C14H18N2O4/c1-14(2,3)15-8-12(20-9-13(15)17)10-4-6-11(7-5-10)16(18)19/h4-7,12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyLAYTVJPOBODDFN-GFCCVEGCSA-N
MW278.31 g/mol
LogP2.29
Rot. Bonds2

About (6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one

(6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one (PubChem CID 67351700) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one.

Molecular Properties

Compound Name(6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one
PubChem CID67351700
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one
SMILESCC(C)(C)N1C[C@H](c2ccc([N+](=O)[O-])cc2)OCC1=O
InChIInChI=1S/C14H18N2O4/c1-14(2,3)15-8-12(20-9-13(15)17)10-4-6-11(7-5-10)16(18)19/h4-7,12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyLAYTVJPOBODDFN-GFCCVEGCSA-N
XLogP2.29
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6S)-6-(4-bromophenyl)-4-tert-butylmorpholin-3-one
CID 67353763
(2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine
CID 67353124
(6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one
CID 67354355
(6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67352063
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one
CID 67352258
2-(4-nitrophenyl)-1,3-dioxepane
CID 12562261
(4S)-1-tert-butyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549336
tert-butyl 5-(4-nitrophenyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 175955140
3-(3,3-dimethylbutan-2-yl)-2-(4-nitrophenyl)imidazolidin-4-one
CID 114983567
1,4-dimethyl-5-(4-nitrophenyl)piperazin-2-one
CID 156824660
6-methyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one
CID 72760820

Frequently Asked Questions

What is the IUPAC name of (6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one?
The IUPAC name of (6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one (CID 67351700) is (6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one.
What is the SMILES notation for (6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one?
The canonical SMILES for (6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one is CC(C)(C)N1C[C@H](c2ccc([N+](=O)[O-])cc2)OCC1=O.
What is the InChIKey of (6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one?
The InChIKey is LAYTVJPOBODDFN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2,3)15-8-12(20-9-13(15)17)10-4-6-11(7-5-10)16(18)19/h4-7,12H,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one?
(6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one has a molecular weight of 278.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one is sourced from PubChem (CID 67351700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).