[1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone

C24H28N2O2 — CID 93077137

IUPAC[1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC[C@H](C)Oc1cccc2c1cc(C(=O)N1CCCC1)n2Cc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-3-18(2)28-23-13-9-12-21-20(23)16-22(24(27)25-14-7-8-15-25)26(21)17-19-10-5-4-6-11-19/h4-6,9-13,16,18H,3,7-8,14-15,17H2,1-2H3/t18-/m0/s1
InChIKeySGFFRHUQWQXQCO-SFHVURJKSA-N
MW376.50 g/mol
LogP5.10
Rot. Bonds6

About [1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone

[1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 93077137) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is [1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID93077137
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name[1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC[C@H](C)Oc1cccc2c1cc(C(=O)N1CCCC1)n2Cc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-3-18(2)28-23-13-9-12-21-20(23)16-22(24(27)25-14-7-8-15-25)26(21)17-19-10-5-4-6-11-19/h4-6,9-13,16,18H,3,7-8,14-15,17H2,1-2H3/t18-/m0/s1
InChIKeySGFFRHUQWQXQCO-SFHVURJKSA-N
XLogP5.10
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone (CID 93077137) is [1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone is CC[C@H](C)Oc1cccc2c1cc(C(=O)N1CCCC1)n2Cc1ccccc1.
What is the InChIKey of [1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SGFFRHUQWQXQCO-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-18(2)28-23-13-9-12-21-20(23)16-22(24(27)25-14-7-8-15-25)26(21)17-19-10-5-4-6-11-19/h4-6,9-13,16,18H,3,7-8,14-15,17H2,1-2H3/t18-/m0/s1.
What are the key properties of [1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone?
[1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 376.50 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 93077137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).