(1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one

C23H24N2O2 — CID 122207205

IUPAC(1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one
SMILESO=C1[C@@H]2CC[C@@H]2C(O)(Cc2ccccc2)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O2/c26-22-19-10-11-20(19)23(27,14-16-6-2-1-3-7-16)25(22)13-12-17-15-24-21-9-5-4-8-18(17)21/h1-9,15,19-20,24,27H,10-14H2/t19-,20+,23?/m1/s1
InChIKeyOCNIIVGJGKFIBJ-ZCQKWSGTSA-N
MW360.46 g/mol
LogP3.51
Rot. Bonds5

About (1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one

(1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one (PubChem CID 122207205) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name(1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one
PubChem CID122207205
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one
SMILESO=C1[C@@H]2CC[C@@H]2C(O)(Cc2ccccc2)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O2/c26-22-19-10-11-20(19)23(27,14-16-6-2-1-3-7-16)25(22)13-12-17-15-24-21-9-5-4-8-18(17)21/h1-9,15,19-20,24,27H,10-14H2/t19-,20+,23?/m1/s1
InChIKeyOCNIIVGJGKFIBJ-ZCQKWSGTSA-N
XLogP3.51
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,6aR)-2-(1H-indol-3-ylmethyl)-5-(2-phenylethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916068
(5S)-5-benzyl-3-[2-(1H-indol-3-yl)ethyl]-2-sulfanylideneimidazolidin-4-one
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CID 118638558
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8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016630
(3aS,7aS)-2-[3-(1H-indol-3-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one?
The IUPAC name of (1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one (CID 122207205) is (1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for (1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one?
The canonical SMILES for (1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one is O=C1[C@@H]2CC[C@@H]2C(O)(Cc2ccccc2)N1CCc1c[nH]c2ccccc12.
What is the InChIKey of (1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one?
The InChIKey is OCNIIVGJGKFIBJ-ZCQKWSGTSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22-19-10-11-20(19)23(27,14-16-6-2-1-3-7-16)25(22)13-12-17-15-24-21-9-5-4-8-18(17)21/h1-9,15,19-20,24,27H,10-14H2/t19-,20+,23?/m1/s1.
What are the key properties of (1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one?
(1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one has a molecular weight of 360.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 122207205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).