4-benzyl-3H-furo[3,4-b]indol-1-one

C17H13NO2 — CID 10989117

IUPAC4-benzyl-3H-furo[3,4-b]indol-1-one
SMILESO=C1OCc2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C17H13NO2/c19-17-16-13-8-4-5-9-14(13)18(15(16)11-20-17)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyQANDBSUUZGCDSB-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.36
Rot. Bonds2

About 4-benzyl-3H-furo[3,4-b]indol-1-one

4-benzyl-3H-furo[3,4-b]indol-1-one (PubChem CID 10989117) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-benzyl-3H-furo[3,4-b]indol-1-one.

Molecular Properties

Compound Name4-benzyl-3H-furo[3,4-b]indol-1-one
PubChem CID10989117
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name4-benzyl-3H-furo[3,4-b]indol-1-one
SMILESO=C1OCc2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C17H13NO2/c19-17-16-13-8-4-5-9-14(13)18(15(16)11-20-17)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyQANDBSUUZGCDSB-UHFFFAOYSA-N
XLogP3.36
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3H-furo[3,4-b]indol-1-one?
The IUPAC name of 4-benzyl-3H-furo[3,4-b]indol-1-one (CID 10989117) is 4-benzyl-3H-furo[3,4-b]indol-1-one.
What is the SMILES notation for 4-benzyl-3H-furo[3,4-b]indol-1-one?
The canonical SMILES for 4-benzyl-3H-furo[3,4-b]indol-1-one is O=C1OCc2c1c1ccccc1n2Cc1ccccc1.
What is the InChIKey of 4-benzyl-3H-furo[3,4-b]indol-1-one?
The InChIKey is QANDBSUUZGCDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-17-16-13-8-4-5-9-14(13)18(15(16)11-20-17)10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 4-benzyl-3H-furo[3,4-b]indol-1-one?
4-benzyl-3H-furo[3,4-b]indol-1-one has a molecular weight of 263.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3H-furo[3,4-b]indol-1-one is sourced from PubChem (CID 10989117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).