(5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one

C25H22N2O2 — CID 102198836

IUPAC(5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](c2c[nH]c3c(OCc4ccccc4)cccc23)N1c1ccccc1
InChIInChI=1S/C25H22N2O2/c28-24-15-14-22(27(24)19-10-5-2-6-11-19)21-16-26-25-20(21)12-7-13-23(25)29-17-18-8-3-1-4-9-18/h1-13,16,22,26H,14-15,17H2/t22-/m0/s1
InChIKeyJNLVXBGQIUDESM-QFIPXVFZSA-N
MW382.46 g/mol
LogP5.61
Rot. Bonds5

About (5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one

(5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one (PubChem CID 102198836) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is (5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one
PubChem CID102198836
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name(5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](c2c[nH]c3c(OCc4ccccc4)cccc23)N1c1ccccc1
InChIInChI=1S/C25H22N2O2/c28-24-15-14-22(27(24)19-10-5-2-6-11-19)21-16-26-25-20(21)12-7-13-23(25)29-17-18-8-3-1-4-9-18/h1-13,16,22,26H,14-15,17H2/t22-/m0/s1
InChIKeyJNLVXBGQIUDESM-QFIPXVFZSA-N
XLogP5.61
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 143651914
3-(2-nitropropyl)-7-phenylmethoxy-1H-indole
CID 11461053
(E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
CID 170876586
4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one
CID 91376144
3-[2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-5-oxopyrrolidin-1-yl]benzoic acid
CID 90836434
N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
CID 563604
(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 10882566
2-(2-phenylmethoxyphenyl)azetidine
CID 130043680
3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole
CID 11324286
ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one
CID 142244182
13-methyl-5,21-bis(phenylmethoxy)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 11734329
2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one
CID 67282165

Frequently Asked Questions

What is the IUPAC name of (5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one (CID 102198836) is (5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one is O=C1CC[C@@H](c2c[nH]c3c(OCc4ccccc4)cccc23)N1c1ccccc1.
What is the InChIKey of (5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one?
The InChIKey is JNLVXBGQIUDESM-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-24-15-14-22(27(24)19-10-5-2-6-11-19)21-16-26-25-20(21)12-7-13-23(25)29-17-18-8-3-1-4-9-18/h1-13,16,22,26H,14-15,17H2/t22-/m0/s1.
What are the key properties of (5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one?
(5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one has a molecular weight of 382.46 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 102198836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).