(5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one

C22H24N2O — CID 97038364

IUPAC(5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one
SMILESCC[C@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H24N2O/c1-3-15(2)24-19(13-14-20(24)25)21-17-11-7-8-12-18(17)23-22(21)16-9-5-4-6-10-16/h4-12,15,19,23H,3,13-14H2,1-2H3/t15-,19+/m0/s1
InChIKeyYAUWRDYQOFEPPN-HNAYVOBHSA-N
MW332.45 g/mol
LogP5.30
Rot. Bonds4

About (5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one

(5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one (PubChem CID 97038364) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one
PubChem CID97038364
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one
SMILESCC[C@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H24N2O/c1-3-15(2)24-19(13-14-20(24)25)21-17-11-7-8-12-18(17)23-22(21)16-9-5-4-6-10-16/h4-12,15,19,23H,3,13-14H2,1-2H3/t15-,19+/m0/s1
InChIKeyYAUWRDYQOFEPPN-HNAYVOBHSA-N
XLogP5.30
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one
CID 70680893
(3S)-2-[(1R)-1-phenylethyl]-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one
CID 41031652
3-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide
CID 5211899
(3S)-3-(2-phenyl-1H-indol-3-yl)-2-prop-2-enyl-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 40640423
6-hydroxy-1-[2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-2-one
CID 15425455
1-butan-2-yl-5-oxopyrrolidine-2-carboxylic acid
CID 6624620
N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide
CID 4664818
3-[(1-methylpyrrolidin-3-yl)methyl]-2-phenyl-1H-indole;oxalic acid
CID 18403268
(1S)-1-(2-phenyl-1H-indol-3-yl)propan-1-ol
CID 82758235
N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide
CID 3900384
3-methyl-N-octan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]pentanamide
CID 4021675
(3R)-3-(2-phenyl-1H-indol-3-yl)-2-(3-propan-2-yloxypropyl)-3H-isoindol-1-one
CID 7324111

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one (CID 97038364) is (5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one is CC[C@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of (5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one?
The InChIKey is YAUWRDYQOFEPPN-HNAYVOBHSA-N. The full InChI is InChI=1S/C22H24N2O/c1-3-15(2)24-19(13-14-20(24)25)21-17-11-7-8-12-18(17)23-22(21)16-9-5-4-6-10-16/h4-12,15,19,23H,3,13-14H2,1-2H3/t15-,19+/m0/s1.
What are the key properties of (5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one?
(5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(2S)-butan-2-yl]-5-(2-phenyl-1H-indol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 97038364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).