(6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one

C14H23NO2 — CID 91932537

IUPAC(6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
SMILESCC[C@@]12COC3(CCCCC3)N1C(=O)[C@H](C)C2
InChIInChI=1S/C14H23NO2/c1-3-13-9-11(2)12(16)15(13)14(17-10-13)7-5-4-6-8-14/h11H,3-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyWAKWYTUYFQDHIJ-DGCLKSJQSA-N
MW237.34 g/mol
LogP2.69
Rot. Bonds1

About (6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one

(6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one (PubChem CID 91932537) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one.

Molecular Properties

Compound Name(6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
PubChem CID91932537
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
SMILESCC[C@@]12COC3(CCCCC3)N1C(=O)[C@H](C)C2
InChIInChI=1S/C14H23NO2/c1-3-13-9-11(2)12(16)15(13)14(17-10-13)7-5-4-6-8-14/h11H,3-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyWAKWYTUYFQDHIJ-DGCLKSJQSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one with MolForge

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Related Compounds

1-Fluoro-7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 142031233
(6S,7S,7aS)-6-fluoro-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 166801089
7a'-Propyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930377
7a'-Ethyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930387
7a'-Methyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930399
7a'-Isobutyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930402
(7S,7a'S)-7',7a'-Dimethyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91932523
7a'-(2-(tert-Butyldimethylsilyloxy)ethyl)dihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91932538
2-(5'-Oxodihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-7a'(5'H)-yl)ethyl acetate
CID 91932546
(7aS)-7a-methylspiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138969721
(7aS)-7a-propylspiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138969722
(7aS)-7,7a-dimethylspiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138969861

Frequently Asked Questions

What is the IUPAC name of (6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The IUPAC name of (6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one (CID 91932537) is (6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one.
What is the SMILES notation for (6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The canonical SMILES for (6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one is CC[C@@]12COC3(CCCCC3)N1C(=O)[C@H](C)C2.
What is the InChIKey of (6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The InChIKey is WAKWYTUYFQDHIJ-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-13-9-11(2)12(16)15(13)14(17-10-13)7-5-4-6-8-14/h11H,3-10H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
(6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one has a molecular weight of 237.34 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7aR)-7a-ethyl-6-methylspiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one is sourced from PubChem (CID 91932537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).