(3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one

C8H13NO2 — CID 15722749

IUPAC(3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SMILESC[C@@H]1CO[C@@]2(C)CCC(=O)N12
InChIInChI=1S/C8H13NO2/c1-6-5-11-8(2)4-3-7(10)9(6)8/h6H,3-5H2,1-2H3/t6-,8+/m1/s1
InChIKeyOULHVDVMAIQXTI-SVRRBLITSA-N
MW155.20 g/mol
LogP0.74
Rot. Bonds

About (3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one

(3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one (PubChem CID 15722749) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one.

Molecular Properties

Compound Name(3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
PubChem CID15722749
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SMILESC[C@@H]1CO[C@@]2(C)CCC(=O)N12
InChIInChI=1S/C8H13NO2/c1-6-5-11-8(2)4-3-7(10)9(6)8/h6H,3-5H2,1-2H3/t6-,8+/m1/s1
InChIKeyOULHVDVMAIQXTI-SVRRBLITSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][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
(3S-cis)-(+)-Tetrahydro-3-isopropyl-7a-methylpyrrolo[2,1-b]oxazol-5(6H)-one
CID 853157
(7aS)-3,3-dimethyl-hexahydropyrrolo(1,2-c)(1,3)oxazol-5-one
CID 13746928
3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one
CID 495124
(S)-6,6-difluoro-3,3-dimethyl-dihydropyrrolo[1,2-c]oxazol-5(1H,3H,6H)-one
CID 11084673
(3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one
CID 367099
(3R,7AS)-3-isopropyl-7a-methyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one
CID 928831
(r,s)-Tetrahydro-pyrrolo[2,1-b]oxazol-5-one
CID 14765443
(7R,7AS)-3,3,7-Trimethyltetrahydro-3H,5H-pyrrolo[1,2-C]oxazol-5-one
CID 118414533
(7aR)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 370776
(7aS)-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 11008405
6,6-difluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 66622708

Frequently Asked Questions

What is the IUPAC name of (3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The IUPAC name of (3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one (CID 15722749) is (3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one.
What is the SMILES notation for (3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The canonical SMILES for (3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one is C[C@@H]1CO[C@@]2(C)CCC(=O)N12.
What is the InChIKey of (3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The InChIKey is OULHVDVMAIQXTI-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-5-11-8(2)4-3-7(10)9(6)8/h6H,3-5H2,1-2H3/t6-,8+/m1/s1.
What are the key properties of (3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
(3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one is sourced from PubChem (CID 15722749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).