5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one

C17H13NO3 — CID 62198656

IUPAC5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3ccc4c(c3)CCO4)ccc2N1
InChIInChI=1S/C17H13NO3/c19-16-9-13-8-11(1-3-14(13)18-16)17(20)12-2-4-15-10(7-12)5-6-21-15/h1-4,7-8H,5-6,9H2,(H,18,19)
InChIKeyATMJFHYCIXPQGS-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.35
Rot. Bonds2

About 5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one

5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 62198656) has the molecular formula C17H13NO3 and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one
PubChem CID62198656
Molecular FormulaC17H13NO3
Molecular Weight279.29 g/mol
Exact Mass279.09
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3ccc4c(c3)CCO4)ccc2N1
InChIInChI=1S/C17H13NO3/c19-16-9-13-8-11(1-3-14(13)18-16)17(20)12-2-4-15-10(7-12)5-6-21-15/h1-4,7-8H,5-6,9H2,(H,18,19)
InChIKeyATMJFHYCIXPQGS-UHFFFAOYSA-N
XLogP2.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one
CID 114988363
2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone
CID 114988074
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110787143

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one (CID 62198656) is 5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)c3ccc4c(c3)CCO4)ccc2N1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is ATMJFHYCIXPQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16-9-13-8-11(1-3-14(13)18-16)17(20)12-2-4-15-10(7-12)5-6-21-15/h1-4,7-8H,5-6,9H2,(H,18,19).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one?
5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 279.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 62198656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).