(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol

C15H18N2O2 — CID 97384253

IUPAC(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ccoc2)[C@H]1Cc1cccnc1
InChIInChI=1S/C15H18N2O2/c18-15-3-6-17(10-13-4-7-19-11-13)14(15)8-12-2-1-5-16-9-12/h1-2,4-5,7,9,11,14-15,18H,3,6,8,10H2/t14-,15-/m0/s1
InChIKeyMTHAFHRGVFJDJV-GJZGRUSLSA-N
MW258.32 g/mol
LogP1.85
Rot. Bonds4

About (2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol

(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 97384253) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
PubChem CID97384253
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ccoc2)[C@H]1Cc1cccnc1
InChIInChI=1S/C15H18N2O2/c18-15-3-6-17(10-13-4-7-19-11-13)14(15)8-12-2-1-5-16-9-12/h1-2,4-5,7,9,11,14-15,18H,3,6,8,10H2/t14-,15-/m0/s1
InChIKeyMTHAFHRGVFJDJV-GJZGRUSLSA-N
XLogP1.85
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,6aS)-4-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97378577
(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470194
(2S,3S)-1-[(4-fluorophenyl)methyl]-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 155823902
(2S,3R)-1-[(4-fluorophenyl)methyl]-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 155829406
(3aS,6aR)-1-(furan-3-ylmethyl)-4-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124806692
(2S,3R)-1-[(5-methylthiophen-2-yl)methyl]-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 155835201
(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 52988001
4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine
CID 97471082
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102784644
2-(furan-3-ylmethyl)-5-(pyridin-3-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131697594
(2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 124814278
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 97470540

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol (CID 97384253) is (2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol is O[C@H]1CCN(Cc2ccoc2)[C@H]1Cc1cccnc1.
What is the InChIKey of (2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is MTHAFHRGVFJDJV-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15-3-6-17(10-13-4-7-19-11-13)14(15)8-12-2-1-5-16-9-12/h1-2,4-5,7,9,11,14-15,18H,3,6,8,10H2/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 258.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97384253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).