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

C11H19NO2 — CID 20621359

IUPAC3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1C(=O)N2C(COC2(C)C)C1(C)C
InChIInChI=1S/C11H19NO2/c1-7-9(13)12-8(10(7,2)3)6-14-11(12,4)5/h7-8H,6H2,1-5H3
InChIKeyVASBTAKHMYFYAQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.63
Rot. Bonds

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

3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 20621359) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID20621359
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1C(=O)N2C(COC2(C)C)C1(C)C
InChIInChI=1S/C11H19NO2/c1-7-9(13)12-8(10(7,2)3)6-14-11(12,4)5/h7-8H,6H2,1-5H3
InChIKeyVASBTAKHMYFYAQ-UHFFFAOYSA-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 3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

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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 3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 20621359) is 3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is CC1C(=O)N2C(COC2(C)C)C1(C)C.
What is the InChIKey of 3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is VASBTAKHMYFYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7-9(13)12-8(10(7,2)3)6-14-11(12,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
3,3,6,7,7-pentamethyl-6,7a-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 3,3,6,7,7-pentamethyl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 20621359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).