1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one

C10H9NO2 — CID 134974242

IUPAC1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one
SMILESO=C1CC2c3ccccc3OC2N1
InChIInChI=1S/C10H9NO2/c12-9-5-7-6-3-1-2-4-8(6)13-10(7)11-9/h1-4,7,10H,5H2,(H,11,12)
InChIKeyFYWBWVFWEJLGLC-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.01
Rot. Bonds

About 1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one

1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one (PubChem CID 134974242) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one.

Molecular Properties

Compound Name1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one
PubChem CID134974242
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one
SMILESO=C1CC2c3ccccc3OC2N1
InChIInChI=1S/C10H9NO2/c12-9-5-7-6-3-1-2-4-8(6)13-10(7)11-9/h1-4,7,10H,5H2,(H,11,12)
InChIKeyFYWBWVFWEJLGLC-UHFFFAOYSA-N
XLogP1.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one?
The IUPAC name of 1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one (CID 134974242) is 1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one.
What is the SMILES notation for 1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one?
The canonical SMILES for 1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one is O=C1CC2c3ccccc3OC2N1.
What is the InChIKey of 1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one?
The InChIKey is FYWBWVFWEJLGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-9-5-7-6-3-1-2-4-8(6)13-10(7)11-9/h1-4,7,10H,5H2,(H,11,12).
What are the key properties of 1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one?
1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one has a molecular weight of 175.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one is sourced from PubChem (CID 134974242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).