1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione

C17H13NO3 — CID 66363787

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2Cc3ccccc3O2)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-16-13-6-2-3-7-14(13)18(17(16)20)10-12-9-11-5-1-4-8-15(11)21-12/h1-8,12H,9-10H2
InChIKeyBLKQOQVWXWXMHF-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione (PubChem CID 66363787) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione
PubChem CID66363787
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2Cc3ccccc3O2)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-16-13-6-2-3-7-14(13)18(17(16)20)10-12-9-11-5-1-4-8-15(11)21-12/h1-8,12H,9-10H2
InChIKeyBLKQOQVWXWXMHF-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738570
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
CID 66364000
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isoindole-1,3-dione
CID 6933956
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
CID 62234275
3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
CID 99610232
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one
CID 62233023
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 62233193

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione (CID 66363787) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione is O=C1C(=O)N(CC2Cc3ccccc3O2)c2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione?
The InChIKey is BLKQOQVWXWXMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16-13-6-2-3-7-14(13)18(17(16)20)10-12-9-11-5-1-4-8-15(11)21-12/h1-8,12H,9-10H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione has a molecular weight of 279.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 66363787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).