(7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C11H19NO2 — CID 59097329

IUPAC(7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@H]1C2COC(C)(C)N2C(=O)C1(C)C
InChIInChI=1S/C11H19NO2/c1-7-8-6-14-11(4,5)12(8)9(13)10(7,2)3/h7-8H,6H2,1-5H3/t7-,8?/m0/s1
InChIKeyRSDKSPYMGXFVIH-JAMMHHFISA-N
MW197.28 g/mol
LogP1.63
Rot. Bonds

About (7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

(7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 59097329) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID59097329
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@H]1C2COC(C)(C)N2C(=O)C1(C)C
InChIInChI=1S/C11H19NO2/c1-7-8-6-14-11(4,5)12(8)9(13)10(7,2)3/h7-8H,6H2,1-5H3/t7-,8?/m0/s1
InChIKeyRSDKSPYMGXFVIH-JAMMHHFISA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-3,3-Dimethyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
CID 10898929
(7aS)-3,3-dimethyl-hexahydropyrrolo(1,2-c)(1,3)oxazol-5-one
CID 13746928
(6S,7S,7aS)-7-ethyl-6-fluoro-3,3-dimethyl-hexahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414013
(7R,7aS)-7-Ethyl-3,3-dimethyl-hexahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414083
(7R,7AS)-3,3,7-Trimethyltetrahydro-3H,5H-pyrrolo[1,2-C]oxazol-5-one
CID 118414533
(6R,7S,7aS)-7-ethyl-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414010
(7S,7aS)-7-ethyl-6,6-difluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414111
(6S,7R,7aS)-6-fluoro-7-(fluoromethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414113
(7R,7aS)-6-fluoro-7-(methoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414140
(6R,7S,7aS)-7-cyclopropyl-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414154
(6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414157
(6R,7R,7aS)-6-fluoro-7-(fluoromethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414162

Frequently Asked Questions

What is the IUPAC name of (7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 59097329) is (7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is C[C@H]1C2COC(C)(C)N2C(=O)C1(C)C.
What is the InChIKey of (7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is RSDKSPYMGXFVIH-JAMMHHFISA-N. The full InChI is InChI=1S/C11H19NO2/c1-7-8-6-14-11(4,5)12(8)9(13)10(7,2)3/h7-8H,6H2,1-5H3/t7-,8?/m0/s1.
What are the key properties of (7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
(7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3,3,6,6,7-pentamethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 59097329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).