(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol

C9H13NO3 — CID 79420188

IUPAC(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2ccco2)C[C@@H]1O
InChIInChI=1S/C9H13NO3/c11-8-5-10(6-9(8)12)4-7-2-1-3-13-7/h1-3,8-9,11-12H,4-6H2/t8-,9+
InChIKeyFSJGPKFWUCOMLM-DTORHVGOSA-N
MW183.21 g/mol
LogP-0.18
Rot. Bonds2

About (3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol

(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol (PubChem CID 79420188) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
PubChem CID79420188
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2ccco2)C[C@@H]1O
InChIInChI=1S/C9H13NO3/c11-8-5-10(6-9(8)12)4-7-2-1-3-13-7/h1-3,8-9,11-12H,4-6H2/t8-,9+
InChIKeyFSJGPKFWUCOMLM-DTORHVGOSA-N
XLogP-0.18
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009587
2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796
[5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid
CID 118541836
1,5-bis(furan-2-ylmethyl)-8-(2-hydroxycyclononyl)-1,5-diazonan-7-ol
CID 70112543
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
(3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
CID 155834911
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
CID 97140501
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441031

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol (CID 79420188) is (3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol is O[C@@H]1CN(Cc2ccco2)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol?
The InChIKey is FSJGPKFWUCOMLM-DTORHVGOSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8-5-10(6-9(8)12)4-7-2-1-3-13-7/h1-3,8-9,11-12H,4-6H2/t8-,9+.
What are the key properties of (3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol?
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol has a molecular weight of 183.21 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 79420188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).