(3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one

C26H23NO2 — CID 139259084

IUPAC(3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one
SMILESO=C1CC[C@H]([C@]2(c3ccccc3)C(=O)N(Cc3ccccc3)c3ccccc32)C1
InChIInChI=1S/C26H23NO2/c28-22-16-15-21(17-22)26(20-11-5-2-6-12-20)23-13-7-8-14-24(23)27(25(26)29)18-19-9-3-1-4-10-19/h1-14,21H,15-18H2/t21-,26-/m0/s1
InChIKeyIUQURIPATZTZEQ-LVXARBLLSA-N
MW381.48 g/mol
LogP4.89
Rot. Bonds4

About (3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one

(3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one (PubChem CID 139259084) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one
PubChem CID139259084
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name(3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one
SMILESO=C1CC[C@H]([C@]2(c3ccccc3)C(=O)N(Cc3ccccc3)c3ccccc32)C1
InChIInChI=1S/C26H23NO2/c28-22-16-15-21(17-22)26(20-11-5-2-6-12-20)23-13-7-8-14-24(23)27(25(26)29)18-19-9-3-1-4-10-19/h1-14,21H,15-18H2/t21-,26-/m0/s1
InChIKeyIUQURIPATZTZEQ-LVXARBLLSA-N
XLogP4.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one?
The IUPAC name of (3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one (CID 139259084) is (3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one?
The canonical SMILES for (3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one is O=C1CC[C@H]([C@]2(c3ccccc3)C(=O)N(Cc3ccccc3)c3ccccc32)C1.
What is the InChIKey of (3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one?
The InChIKey is IUQURIPATZTZEQ-LVXARBLLSA-N. The full InChI is InChI=1S/C26H23NO2/c28-22-16-15-21(17-22)26(20-11-5-2-6-12-20)23-13-7-8-14-24(23)27(25(26)29)18-19-9-3-1-4-10-19/h1-14,21H,15-18H2/t21-,26-/m0/s1.
What are the key properties of (3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one?
(3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one has a molecular weight of 381.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[(1S)-3-oxocyclopentyl]-3-phenylindol-2-one is sourced from PubChem (CID 139259084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).