5,6-dihydrofuro[2,3-b]pyrrol-4-one

C6H5NO2 — CID 96637935

IUPAC5,6-dihydrofuro[2,3-b]pyrrol-4-one
SMILESO=C1CNc2occc21
InChIInChI=1S/C6H5NO2/c8-5-3-7-6-4(5)1-2-9-6/h1-2,7H,3H2
InChIKeyBPTJSEQWKKYKOV-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.89
Rot. Bonds

About 5,6-dihydrofuro[2,3-b]pyrrol-4-one

5,6-dihydrofuro[2,3-b]pyrrol-4-one (PubChem CID 96637935) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 5,6-dihydrofuro[2,3-b]pyrrol-4-one.

Molecular Properties

Compound Name5,6-dihydrofuro[2,3-b]pyrrol-4-one
PubChem CID96637935
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name5,6-dihydrofuro[2,3-b]pyrrol-4-one
SMILESO=C1CNc2occc21
InChIInChI=1S/C6H5NO2/c8-5-3-7-6-4(5)1-2-9-6/h1-2,7H,3H2
InChIKeyBPTJSEQWKKYKOV-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

6,7-dihydro-5H-furo[2,3-c]pyridin-4-one
CID 13365221
1,2-dihydrofuro[3,4-b]pyrrol-3-one
CID 96637933
7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one
CID 82414662
5,6-difluoro-1,2-dihydroindol-3-one
CID 175758508
methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate
CID 69345761
spiro[1,4-dihydrofuro[2,3-b]pyrazine-2,1'-cyclopropane]-3-one
CID 82375673
5,6-dihydrothiopyrano[2,3-b]furan-4-one
CID 67945571
5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione
CID 102501631
7H-furo[3,2-c]pyridine-4,6-dione
CID 55283626
6,7-dihydro-5H-1-benzofuran-4-one;ethane
CID 91171294
2,3,7,8-tetrahydrofuro[3,2-g]indol-6-one
CID 96630355
2,3-dihydrofuro[2,3-d][1,3]thiazole
CID 58996043

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydrofuro[2,3-b]pyrrol-4-one?
The IUPAC name of 5,6-dihydrofuro[2,3-b]pyrrol-4-one (CID 96637935) is 5,6-dihydrofuro[2,3-b]pyrrol-4-one.
What is the SMILES notation for 5,6-dihydrofuro[2,3-b]pyrrol-4-one?
The canonical SMILES for 5,6-dihydrofuro[2,3-b]pyrrol-4-one is O=C1CNc2occc21.
What is the InChIKey of 5,6-dihydrofuro[2,3-b]pyrrol-4-one?
The InChIKey is BPTJSEQWKKYKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c8-5-3-7-6-4(5)1-2-9-6/h1-2,7H,3H2.
What are the key properties of 5,6-dihydrofuro[2,3-b]pyrrol-4-one?
5,6-dihydrofuro[2,3-b]pyrrol-4-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 5,6-dihydrofuro[2,3-b]pyrrol-4-one is sourced from PubChem (CID 96637935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).