2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one

C13H11NO3 — CID 5309375

IUPAC2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1Cc1ccco1
InChIInChI=1S/C13H11NO3/c15-12-10-5-1-2-6-11(10)13(16)14(12)8-9-4-3-7-17-9/h1-7,12,15H,8H2
InChIKeyYOPBSAFNYIJINC-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.93
Rot. Bonds2

About 2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one

2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 5309375) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID5309375
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1Cc1ccco1
InChIInChI=1S/C13H11NO3/c15-12-10-5-1-2-6-11(10)13(16)14(12)8-9-4-3-7-17-9/h1-7,12,15H,8H2
InChIKeyYOPBSAFNYIJINC-UHFFFAOYSA-N
XLogP1.93
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 887709
acs.jmedchem.1c00409_ST.164
CID 9903743
N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
CID 2929761
2-ethyl-N-(2-furylmethyl)-1,3-dioxoisoindoline-5-carboxamide
CID 4367205
3-(4-fluorobenzyl)-1-(2-furylmethyl)-4-hydroxy-2(1H)-pyridinone
CID 54696633
3-Acetyl-2-(2-furyl)-4-hydroxy-5-oxo-1-benzyl-3-pyrroline
CID 653772
2-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 73776941
2-(2-furylmethyl)-1H-isoindole-1,3(2H)-dione
CID 758210
Isoindolinone scaffold, 47
CID 44176166
2-{4-[4-(Furan-2-carbonyl)-piperazin-1-yl]-butyl}-isoindole-1,3-dione
CID 646155
4-Acetyl-1-furan-2-ylmethyl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one
CID 646898
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-furan-2-ylmethyl-propionamide
CID 682230

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one (CID 5309375) is 2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one is O=C1c2ccccc2C(O)N1Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is YOPBSAFNYIJINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12-10-5-1-2-6-11(10)13(16)14(12)8-9-4-3-7-17-9/h1-7,12,15H,8H2.
What are the key properties of 2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one?
2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 229.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 5309375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).