[(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone

C13H22N2O2 — CID 129498418

IUPAC[(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESO=C([C@H]1CCNC1)N1C[C@H](CO)C2(CCC2)C1
InChIInChI=1S/C13H22N2O2/c16-8-11-7-15(9-13(11)3-1-4-13)12(17)10-2-5-14-6-10/h10-11,14,16H,1-9H2/t10-,11+/m0/s1
InChIKeyICDDHTVAAFNDKM-WDEREUQCSA-N
MW238.33 g/mol
LogP0.22
Rot. Bonds2

About [(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone

[(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 129498418) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID129498418
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESO=C([C@H]1CCNC1)N1C[C@H](CO)C2(CCC2)C1
InChIInChI=1S/C13H22N2O2/c16-8-11-7-15(9-13(11)3-1-4-13)12(17)10-2-5-14-6-10/h10-11,14,16H,1-9H2/t10-,11+/m0/s1
InChIKeyICDDHTVAAFNDKM-WDEREUQCSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone with MolForge

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Related Compounds

azetidin-3-yl-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 121204422
2-cyclohexyl-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91910406
azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone
CID 129495479
2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119767012
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504
3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579644
2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride
CID 170169563
pyrrolidin-3-yl-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119892585
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 114797503

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of [(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone (CID 129498418) is [(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone is O=C([C@H]1CCNC1)N1C[C@H](CO)C2(CCC2)C1.
What is the InChIKey of [(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is ICDDHTVAAFNDKM-WDEREUQCSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-8-11-7-15(9-13(11)3-1-4-13)12(17)10-2-5-14-6-10/h10-11,14,16H,1-9H2/t10-,11+/m0/s1.
What are the key properties of [(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone?
[(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 238.33 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 129498418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).