[(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol

C11H17NO2 — CID 103885811

IUPAC[(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccoc1CN1CCC[C@H]1CO
InChIInChI=1S/C11H17NO2/c1-9-4-6-14-11(9)7-12-5-2-3-10(12)8-13/h4,6,10,13H,2-3,5,7-8H2,1H3/t10-/m0/s1
InChIKeyGADIFJYOHMLXHA-JTQLQIEISA-N
MW195.26 g/mol
LogP1.54
Rot. Bonds3

About [(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 103885811) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID103885811
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccoc1CN1CCC[C@H]1CO
InChIInChI=1S/C11H17NO2/c1-9-4-6-14-11(9)7-12-5-2-3-10(12)8-13/h4,6,10,13H,2-3,5,7-8H2,1H3/t10-/m0/s1
InChIKeyGADIFJYOHMLXHA-JTQLQIEISA-N
XLogP1.54
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 62737323
ethyl 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]furan-3-carboxylate
CID 116637436
2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol
CID 115882769
1-[(3-methylfuran-2-yl)methyl]piperidin-4-ol
CID 115880131
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843
[(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885793
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028438
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
1-[2-[(2-ethylpyrrolidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62439336
2-[4-[(3-methylfuran-2-yl)methyl]piperazin-1-yl]ethanol
CID 30704245
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 103885811) is [(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol is Cc1ccoc1CN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is GADIFJYOHMLXHA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-4-6-14-11(9)7-12-5-2-3-10(12)8-13/h4,6,10,13H,2-3,5,7-8H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 195.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103885811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).