1,2-dihydrofuro[3,4-b]pyrrol-3-one

C6H5NO2 — CID 96637933

IUPAC1,2-dihydrofuro[3,4-b]pyrrol-3-one
SMILESO=C1CNc2cocc21
InChIInChI=1S/C6H5NO2/c8-6-1-7-5-3-9-2-4(5)6/h2-3,7H,1H2
InChIKeyUPKBKBTWAPQAJV-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.89
Rot. Bonds

About 1,2-dihydrofuro[3,4-b]pyrrol-3-one

1,2-dihydrofuro[3,4-b]pyrrol-3-one (PubChem CID 96637933) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 1,2-dihydrofuro[3,4-b]pyrrol-3-one.

Molecular Properties

Compound Name1,2-dihydrofuro[3,4-b]pyrrol-3-one
PubChem CID96637933
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name1,2-dihydrofuro[3,4-b]pyrrol-3-one
SMILESO=C1CNc2cocc21
InChIInChI=1S/C6H5NO2/c8-6-1-7-5-3-9-2-4(5)6/h2-3,7H,1H2
InChIKeyUPKBKBTWAPQAJV-UHFFFAOYSA-N
XLogP0.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydrofuro[2,3-b]pyrrol-4-one
CID 96637935
5,6-difluoro-1,2-dihydroindol-3-one
CID 175758508
5-tert-butyl-1,2-dihydroindol-3-one
CID 90244425
1,2,3,4-tetrahydro-1,3-benzodiazepin-5-one
CID 121437311
2,3-dihydro-1H-isoquinolin-4-one
CID 23008851
2,3,7,8-tetrahydrofuro[3,2-g]indol-6-one
CID 96630355
2,3-dihydro-1H-pyrano[3,4-b]pyridine-4,6-dione
CID 161138308
6-bromo-7-methyl-1,2-dihydroindol-3-one
CID 126547890
6,7-dihydro-5H-furo[2,3-c]pyridin-4-one
CID 13365221
5-acetyl-6-methoxy-1,2-dihydroindol-3-one
CID 69171683
1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-4-one
CID 96636168
3,4-dihydro-2H-2,3-benzodiazepine-1,5-dione
CID 90996584

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrofuro[3,4-b]pyrrol-3-one?
The IUPAC name of 1,2-dihydrofuro[3,4-b]pyrrol-3-one (CID 96637933) is 1,2-dihydrofuro[3,4-b]pyrrol-3-one.
What is the SMILES notation for 1,2-dihydrofuro[3,4-b]pyrrol-3-one?
The canonical SMILES for 1,2-dihydrofuro[3,4-b]pyrrol-3-one is O=C1CNc2cocc21.
What is the InChIKey of 1,2-dihydrofuro[3,4-b]pyrrol-3-one?
The InChIKey is UPKBKBTWAPQAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c8-6-1-7-5-3-9-2-4(5)6/h2-3,7H,1H2.
What are the key properties of 1,2-dihydrofuro[3,4-b]pyrrol-3-one?
1,2-dihydrofuro[3,4-b]pyrrol-3-one has a molecular weight of 123.11 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrofuro[3,4-b]pyrrol-3-one is sourced from PubChem (CID 96637933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).