(5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol

C14H25NO2 — CID 69087459

IUPAC(5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol
SMILESC[C@H]1CC[C@@]2(CC(O)CO2)C[C@@H]1N1CCCC1
InChIInChI=1S/C14H25NO2/c1-11-4-5-14(8-12(16)10-17-14)9-13(11)15-6-2-3-7-15/h11-13,16H,2-10H2,1H3/t11-,12?,13-,14+/m0/s1
InChIKeyDLKPCHIINKEFQR-FUDCBSFHSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds1

About (5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol

(5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol (PubChem CID 69087459) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name(5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol
PubChem CID69087459
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol
SMILESC[C@H]1CC[C@@]2(CC(O)CO2)C[C@@H]1N1CCCC1
InChIInChI=1S/C14H25NO2/c1-11-4-5-14(8-12(16)10-17-14)9-13(11)15-6-2-3-7-15/h11-13,16H,2-10H2,1H3/t11-,12?,13-,14+/m0/s1
InChIKeyDLKPCHIINKEFQR-FUDCBSFHSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol?
The IUPAC name of (5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol (CID 69087459) is (5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol.
What is the SMILES notation for (5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol?
The canonical SMILES for (5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol is C[C@H]1CC[C@@]2(CC(O)CO2)C[C@@H]1N1CCCC1.
What is the InChIKey of (5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol?
The InChIKey is DLKPCHIINKEFQR-FUDCBSFHSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-4-5-14(8-12(16)10-17-14)9-13(11)15-6-2-3-7-15/h11-13,16H,2-10H2,1H3/t11-,12?,13-,14+/m0/s1.
What are the key properties of (5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol?
(5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol has a molecular weight of 239.36 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol is sourced from PubChem (CID 69087459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).