3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one

C77H97N7O8 — CID 158234327

IUPAC3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
SMILESC=C1C[C@@]2(CC(C)=NO2)c2ccccc21.CC1=NOC2(C1)Cc1ccccc1C2.CC1=NOC2(C1)Cc1ccccc1C2=O.CC1=NOC2(CCC(C)CC2)C1.CC1=NOC2(CCCC2)C1.CC1=NOC2(CCCCC2)C1.CC1=NO[C@]2(CCc3ccccc3C2)C1
InChIInChI=1S/C13H13NO.C13H15NO.C12H11NO2.C12H13NO.C10H17NO.C9H15NO.C8H13NO/c1-9-7-13(8-10(2)14-15-13)12-6-4-3-5-11(9)12;1-10-8-13(15-14-10)7-6-11-4-2-3-5-12(11)9-13;1-8-6-12(15-13-8)7-9-4-2-3-5-10(9)11(12)14;1-9-6-12(14-13-9)7-10-4-2-3-5-11(10)8-12;1-8-3-5-10(6-4-8)7-9(2)11-12-10;1-8-7-9(11-10-8)5-3-2-4-6-9;1-7-6-8(10-9-7)4-2-3-5-8/h3-6H,1,7-8H2,2H3;2-5H,6-9H2,1H3;2-5H,6-7H2,1H3;2-5H,6-8H2,1H3;8H,3-7H2,1-2H3;2-7H2,1H3;2-6H2,1H3/t2*13-;;;;;/m11...../s1
InChIKeyGETSLVUYFFFLPI-HPWPBVQNSA-N
MW1248.66 g/mol
LogP17.40
Rot. Bonds

About 3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one

3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one (PubChem CID 158234327) has the molecular formula C77H97N7O8 and a molecular weight of 1248.66 g/mol. Its IUPAC name is 3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one.

Molecular Properties

Compound Name3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
PubChem CID158234327
Molecular FormulaC77H97N7O8
Molecular Weight1248.66 g/mol
Exact Mass1247.74
IUPAC Name3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
SMILESC=C1C[C@@]2(CC(C)=NO2)c2ccccc21.CC1=NOC2(C1)Cc1ccccc1C2.CC1=NOC2(C1)Cc1ccccc1C2=O.CC1=NOC2(CCC(C)CC2)C1.CC1=NOC2(CCCC2)C1.CC1=NOC2(CCCCC2)C1.CC1=NO[C@]2(CCc3ccccc3C2)C1
InChIInChI=1S/C13H13NO.C13H15NO.C12H11NO2.C12H13NO.C10H17NO.C9H15NO.C8H13NO/c1-9-7-13(8-10(2)14-15-13)12-6-4-3-5-11(9)12;1-10-8-13(15-14-10)7-6-11-4-2-3-5-12(11)9-13;1-8-6-12(15-13-8)7-9-4-2-3-5-10(9)11(12)14;1-9-6-12(14-13-9)7-10-4-2-3-5-11(10)8-12;1-8-3-5-10(6-4-8)7-9(2)11-12-10;1-8-7-9(11-10-8)5-3-2-4-6-9;1-7-6-8(10-9-7)4-2-3-5-8/h3-6H,1,7-8H2,2H3;2-5H,6-9H2,1H3;2-5H,6-7H2,1H3;2-5H,6-8H2,1H3;8H,3-7H2,1-2H3;2-7H2,1H3;2-6H2,1H3/t2*13-;;;;;/m11...../s1
InChIKeyGETSLVUYFFFLPI-HPWPBVQNSA-N
XLogP17.40
TPSA168.20 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001248.66
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one with MolForge

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Related Compounds

(3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]
CID 58433158
(4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole]
CID 58433202
8-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-one
CID 139991277
spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]
CID 86182652
CID 12592524
CID 12592524
(2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
CID 172635593
2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one
CID 11737107
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757
spiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-1-one
CID 176640105
(2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 11139739
(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
CID 134956870
10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene
CID 161333724

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The IUPAC name of 3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one (CID 158234327) is 3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one.
What is the SMILES notation for 3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The canonical SMILES for 3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one is C=C1C[C@@]2(CC(C)=NO2)c2ccccc21.CC1=NOC2(C1)Cc1ccccc1C2.CC1=NOC2(C1)Cc1ccccc1C2=O.CC1=NOC2(CCC(C)CC2)C1.CC1=NOC2(CCCC2)C1.CC1=NOC2(CCCCC2)C1.CC1=NO[C@]2(CCc3ccccc3C2)C1.
What is the InChIKey of 3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The InChIKey is GETSLVUYFFFLPI-HPWPBVQNSA-N. The full InChI is InChI=1S/C13H13NO.C13H15NO.C12H11NO2.C12H13NO.C10H17NO.C9H15NO.C8H13NO/c1-9-7-13(8-10(2)14-15-13)12-6-4-3-5-11(9)12;1-10-8-13(15-14-10)7-6-11-4-2-3-5-12(11)9-13;1-8-6-12(15-13-8)7-9-4-2-3-5-10(9)11(12)14;1-9-6-12(14-13-9)7-10-4-2-3-5-11(10)8-12;1-8-3-5-10(6-4-8)7-9(2)11-12-10;1-8-7-9(11-10-8)5-3-2-4-6-9;1-7-6-8(10-9-7)4-2-3-5-8/h3-6H,1,7-8H2,2H3;2-5H,6-9H2,1H3;2-5H,6-7H2,1H3;2-5H,6-8H2,1H3;8H,3-7H2,1-2H3;2-7H2,1H3;2-6H2,1H3/t2*13-;;;;;/m11...../s1.
What are the key properties of 3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one has a molecular weight of 1248.66 g/mol, XLogP of 17.40, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene;(1R)-3'-methyl-3-methylidenespiro[2H-indene-1,5'-4H-1,2-oxazole];3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene;3-methyl-1-oxa-2-azaspiro[4.4]non-2-ene;3'-methylspiro[1,3-dihydroindene-2,5'-4H-1,2-oxazole];(3S)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,2-oxazole];3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one is sourced from PubChem (CID 158234327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).