(2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane]

C13H21NO — CID 135043246

IUPAC(2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane]
SMILESC[C@H]1C[C@]2(CCCO2)C2=C(CCCC2)N1
InChIInChI=1S/C13H21NO/c1-10-9-13(7-4-8-15-13)11-5-2-3-6-12(11)14-10/h10,14H,2-9H2,1H3/t10-,13+/m0/s1
InChIKeyLRIPEOMXLUHSKA-GXFFZTMASA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds

About (2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane]

(2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane] (PubChem CID 135043246) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane].

Molecular Properties

Compound Name(2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane]
PubChem CID135043246
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane]
SMILESC[C@H]1C[C@]2(CCCO2)C2=C(CCCC2)N1
InChIInChI=1S/C13H21NO/c1-10-9-13(7-4-8-15-13)11-5-2-3-6-12(11)14-10/h10,14H,2-9H2,1H3/t10-,13+/m0/s1
InChIKeyLRIPEOMXLUHSKA-GXFFZTMASA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane]?
The IUPAC name of (2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane] (CID 135043246) is (2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane].
What is the SMILES notation for (2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane]?
The canonical SMILES for (2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane] is C[C@H]1C[C@]2(CCCO2)C2=C(CCCC2)N1.
What is the InChIKey of (2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane]?
The InChIKey is LRIPEOMXLUHSKA-GXFFZTMASA-N. The full InChI is InChI=1S/C13H21NO/c1-10-9-13(7-4-8-15-13)11-5-2-3-6-12(11)14-10/h10,14H,2-9H2,1H3/t10-,13+/m0/s1.
What are the key properties of (2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane]?
(2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane] has a molecular weight of 207.32 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane] is sourced from PubChem (CID 135043246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).