1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one

C21H17NO3 — CID 51035327

IUPAC1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one
SMILESO=C(CC1C(=O)N(Cc2ccccc2)c2ccccc21)c1ccco1
InChIInChI=1S/C21H17NO3/c23-19(20-11-6-12-25-20)13-17-16-9-4-5-10-18(16)22(21(17)24)14-15-7-2-1-3-8-15/h1-12,17H,13-14H2
InChIKeyHTONCEGWUIWBAI-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.18
Rot. Bonds5

About 1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one

1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one (PubChem CID 51035327) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one
PubChem CID51035327
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one
SMILESO=C(CC1C(=O)N(Cc2ccccc2)c2ccccc21)c1ccco1
InChIInChI=1S/C21H17NO3/c23-19(20-11-6-12-25-20)13-17-16-9-4-5-10-18(16)22(21(17)24)14-15-7-2-1-3-8-15/h1-12,17H,13-14H2
InChIKeyHTONCEGWUIWBAI-UHFFFAOYSA-N
XLogP4.18
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one?
The IUPAC name of 1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one (CID 51035327) is 1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one?
The canonical SMILES for 1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one is O=C(CC1C(=O)N(Cc2ccccc2)c2ccccc21)c1ccco1.
What is the InChIKey of 1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one?
The InChIKey is HTONCEGWUIWBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-19(20-11-6-12-25-20)13-17-16-9-4-5-10-18(16)22(21(17)24)14-15-7-2-1-3-8-15/h1-12,17H,13-14H2.
What are the key properties of 1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one?
1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one has a molecular weight of 331.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(furan-2-yl)-2-oxoethyl]-3H-indol-2-one is sourced from PubChem (CID 51035327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).