1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one

C17H17NO2 — CID 62233023

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CC1Cc2ccccc2O1
InChIInChI=1S/C17H17NO2/c19-16-6-3-5-15-14(16)8-9-18(15)11-13-10-12-4-1-2-7-17(12)20-13/h1-2,4,7-9,13H,3,5-6,10-11H2
InChIKeyNBVKXRQACOFMLG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.01
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 62233023) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one
PubChem CID62233023
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CC1Cc2ccccc2O1
InChIInChI=1S/C17H17NO2/c19-16-6-3-5-15-14(16)8-9-18(15)11-13-10-12-4-1-2-7-17(12)20-13/h1-2,4,7-9,13H,3,5-6,10-11H2
InChIKeyNBVKXRQACOFMLG-UHFFFAOYSA-N
XLogP3.01
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
CID 62234275
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
CID 99610232
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine
CID 114195982
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione
CID 66363787
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
CID 106569539
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-fluoroindole
CID 82782530
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)indole-5-carbaldehyde
CID 102910872
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole
CID 116623048

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one (CID 62233023) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2CC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is NBVKXRQACOFMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16-6-3-5-15-14(16)8-9-18(15)11-13-10-12-4-1-2-7-17(12)20-13/h1-2,4,7-9,13H,3,5-6,10-11H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 267.33 g/mol, XLogP of 3.01, 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)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 62233023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).