(6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one

C13H15NO3 — CID 134859484

IUPAC(6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
SMILESO=C1CC2[C@H](O1)[C@H](O)CN2Cc1ccccc1
InChIInChI=1S/C13H15NO3/c15-11-8-14(7-9-4-2-1-3-5-9)10-6-12(16)17-13(10)11/h1-5,10-11,13,15H,6-8H2/t10?,11-,13+/m1/s1
InChIKeyDEAJMHGVWWPKQB-ZNVNOEFISA-N
MW233.27 g/mol
LogP0.55
Rot. Bonds2

About (6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one

(6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one (PubChem CID 134859484) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one.

Molecular Properties

Compound Name(6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
PubChem CID134859484
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
SMILESO=C1CC2[C@H](O1)[C@H](O)CN2Cc1ccccc1
InChIInChI=1S/C13H15NO3/c15-11-8-14(7-9-4-2-1-3-5-9)10-6-12(16)17-13(10)11/h1-5,10-11,13,15H,6-8H2/t10?,11-,13+/m1/s1
InChIKeyDEAJMHGVWWPKQB-ZNVNOEFISA-N
XLogP0.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,6S,7R,7aR)-4-benzyl-6,7-bis(phenylmethoxy)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one
CID 15545459
(1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 15669538
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
CID 134073287
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
6-benzyl-6-azabicyclo[3.2.1]octan-4-ol
CID 57485770
(2R,3S,3aR,6aR)-2-benzyl-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 46897991
benzyl 9-hydroxy-4-oxo-3,7-dioxa-11-azatricyclo[6.3.0.02,6]undecane-11-carboxylate
CID 5125680
(3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one
CID 71505779
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 98071497
(1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 56972812
(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235

Frequently Asked Questions

What is the IUPAC name of (6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
The IUPAC name of (6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one (CID 134859484) is (6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one.
What is the SMILES notation for (6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
The canonical SMILES for (6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one is O=C1CC2[C@H](O1)[C@H](O)CN2Cc1ccccc1.
What is the InChIKey of (6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
The InChIKey is DEAJMHGVWWPKQB-ZNVNOEFISA-N. The full InChI is InChI=1S/C13H15NO3/c15-11-8-14(7-9-4-2-1-3-5-9)10-6-12(16)17-13(10)11/h1-5,10-11,13,15H,6-8H2/t10?,11-,13+/m1/s1.
What are the key properties of (6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
(6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one is sourced from PubChem (CID 134859484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).