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

C14H17NO4 — CID 67341630

IUPAC4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
SMILESO=C1CC2C(O1)C(O)C(CO)N2Cc1ccccc1
InChIInChI=1S/C14H17NO4/c16-8-11-13(18)14-10(6-12(17)19-14)15(11)7-9-4-2-1-3-5-9/h1-5,10-11,13-14,16,18H,6-8H2
InChIKeyOLVGECZAELJYNK-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.09
Rot. Bonds3

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

4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one (PubChem CID 67341630) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one.

Molecular Properties

Compound Name4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
PubChem CID67341630
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
SMILESO=C1CC2C(O1)C(O)C(CO)N2Cc1ccccc1
InChIInChI=1S/C14H17NO4/c16-8-11-13(18)14-10(6-12(17)19-14)15(11)7-9-4-2-1-3-5-9/h1-5,10-11,13-14,16,18H,6-8H2
InChIKeyOLVGECZAELJYNK-UHFFFAOYSA-N
XLogP-0.09
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
The IUPAC name of 4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one (CID 67341630) is 4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one.
What is the SMILES notation for 4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
The canonical SMILES for 4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one is O=C1CC2C(O1)C(O)C(CO)N2Cc1ccccc1.
What is the InChIKey of 4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
The InChIKey is OLVGECZAELJYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-8-11-13(18)14-10(6-12(17)19-14)15(11)7-9-4-2-1-3-5-9/h1-5,10-11,13-14,16,18H,6-8H2.
What are the key properties of 4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one?
4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one has a molecular weight of 263.29 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one is sourced from PubChem (CID 67341630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).