(4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one

C25H19NO — CID 164668605

IUPAC(4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one
SMILESO=C1C=C[C@H](c2c[nH]c3ccccc23)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19NO/c27-24-16-15-22(21-17-26-23-14-8-7-13-20(21)23)25(24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,22,26H/t22-/m1/s1
InChIKeyAGBLFBUBWVCIET-JOCHJYFZSA-N
MW349.43 g/mol
LogP5.38
Rot. Bonds3

About (4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one

(4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one (PubChem CID 164668605) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is (4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one
PubChem CID164668605
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name(4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one
SMILESO=C1C=C[C@H](c2c[nH]c3ccccc23)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19NO/c27-24-16-15-22(21-17-26-23-14-8-7-13-20(21)23)25(24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,22,26H/t22-/m1/s1
InChIKeyAGBLFBUBWVCIET-JOCHJYFZSA-N
XLogP5.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one
CID 139095017
3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 56977887
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484828
(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one
CID 155758572
(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one
CID 36690022
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one
CID 10425726
2-(1H-indol-3-yl)-4H-1,4-benzothiazin-3-one
CID 4794447
(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
CID 919331

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one (CID 164668605) is (4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one is O=C1C=C[C@H](c2c[nH]c3ccccc23)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one?
The InChIKey is AGBLFBUBWVCIET-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H19NO/c27-24-16-15-22(21-17-26-23-14-8-7-13-20(21)23)25(24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,22,26H/t22-/m1/s1.
What are the key properties of (4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one?
(4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one has a molecular weight of 349.43 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one is sourced from PubChem (CID 164668605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).