2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one

C15H25NO3 — CID 536672

IUPAC2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one
SMILESCC1CC2(CC(=O)C(C)(O)O2)C2CCCCC2N1C
InChIInChI=1S/C15H25NO3/c1-10-8-15(9-13(17)14(2,18)19-15)11-6-4-5-7-12(11)16(10)3/h10-12,18H,4-9H2,1-3H3
InChIKeySXAMPBZYHZZWRP-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.71
Rot. Bonds

About 2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one

2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one (PubChem CID 536672) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one.

Molecular Properties

Compound Name2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one
PubChem CID536672
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one
SMILESCC1CC2(CC(=O)C(C)(O)O2)C2CCCCC2N1C
InChIInChI=1S/C15H25NO3/c1-10-8-15(9-13(17)14(2,18)19-15)11-6-4-5-7-12(11)16(10)3/h10-12,18H,4-9H2,1-3H3
InChIKeySXAMPBZYHZZWRP-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one with MolForge

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Related Compounds

3-hydroxy-3-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
CID 123222610
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CID 3066426
4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol
CID 23263133
(1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol
CID 11344136
3,3,4,4-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one
CID 11790444
(1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one
CID 51357758
4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one
CID 130673696
5,10-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenazine
CID 58400586
3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 128987293
1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
CID 3095705
(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one
CID 10820550
4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 597809

Frequently Asked Questions

What is the IUPAC name of 2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one?
The IUPAC name of 2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one (CID 536672) is 2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one.
What is the SMILES notation for 2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one?
The canonical SMILES for 2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one is CC1CC2(CC(=O)C(C)(O)O2)C2CCCCC2N1C.
What is the InChIKey of 2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one?
The InChIKey is SXAMPBZYHZZWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10-8-15(9-13(17)14(2,18)19-15)11-6-4-5-7-12(11)16(10)3/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one?
2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one has a molecular weight of 267.37 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one is sourced from PubChem (CID 536672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).