1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one

C8H13NO2 — CID 13068807

IUPAC1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCC1(C)OC(=O)N2CCCC21
InChIInChI=1S/C8H13NO2/c1-8(2)6-4-3-5-9(6)7(10)11-8/h6H,3-5H2,1-2H3
InChIKeyNONCGJNSIDCJOH-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.38
Rot. Bonds

About 1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one

1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 13068807) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID13068807
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCC1(C)OC(=O)N2CCCC21
InChIInChI=1S/C8H13NO2/c1-8(2)6-4-3-5-9(6)7(10)11-8/h6H,3-5H2,1-2H3
InChIKeyNONCGJNSIDCJOH-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8aR)-3,3-dimethyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,4-dione
CID 89403221
1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
CID 82762864
3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one
CID 79877891
(4aR)-4-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]-3,3-dimethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c][1,3]oxazin-1-one
CID 166004643
3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
CID 155283919
(3R,8aR)-3-(bromomethyl)-3-methyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,4-dione
CID 11615879
2-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-6-azaspiro[3.4]octane-6-carboxylic acid
CID 122539550
(3S,8aS)-3-(2-bromopropan-2-yl)-3-methyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,4-dione
CID 134992842
3-bromo-1-(2,2,3,3-tetramethylcyclopropyl)piperidin-2-one
CID 79350617
3-(2,2-dimethyloxolan-3-yl)-5-methylimidazolidin-4-one
CID 130709273
1-(2,2-dimethylcyclopentyl)-3-(propan-2-ylamino)piperidin-2-one
CID 79877894
1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxylic acid
CID 90303895

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of 1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one (CID 13068807) is 1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for 1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for 1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one is CC1(C)OC(=O)N2CCCC21.
What is the InChIKey of 1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is NONCGJNSIDCJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2)6-4-3-5-9(6)7(10)11-8/h6H,3-5H2,1-2H3.
What are the key properties of 1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one?
1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 155.20 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 13068807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).