3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one

C27H28N2O — CID 139845149

IUPAC3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
SMILESCc1ccc(CCN2CC[C@@H](C3(c4ccccc4)C(=O)Nc4ccccc43)C2)cc1
InChIInChI=1S/C27H28N2O/c1-20-11-13-21(14-12-20)15-17-29-18-16-23(19-29)27(22-7-3-2-4-8-22)24-9-5-6-10-25(24)28-26(27)30/h2-14,23H,15-19H2,1H3,(H,28,30)/t23-,27?/m1/s1
InChIKeyKQRJMFFMOBWYRC-BRIWLPCBSA-N
MW396.53 g/mol
LogP4.80
Rot. Bonds5

About 3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one

3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one (PubChem CID 139845149) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
PubChem CID139845149
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
SMILESCc1ccc(CCN2CC[C@@H](C3(c4ccccc4)C(=O)Nc4ccccc43)C2)cc1
InChIInChI=1S/C27H28N2O/c1-20-11-13-21(14-12-20)15-17-29-18-16-23(19-29)27(22-7-3-2-4-8-22)24-9-5-6-10-25(24)28-26(27)30/h2-14,23H,15-19H2,1H3,(H,28,30)/t23-,27?/m1/s1
InChIKeyKQRJMFFMOBWYRC-BRIWLPCBSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
CID 139845178
(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol
CID 111434356
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457
3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride
CID 139845156
3-[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 122101094
2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654449
3-methyl-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 126469346
3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1,4-dihydroquinolin-2-one
CID 139836729
3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120776449
2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 123234321
N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 134215408
3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741259

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one?
The IUPAC name of 3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one (CID 139845149) is 3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one?
The canonical SMILES for 3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one is Cc1ccc(CCN2CC[C@@H](C3(c4ccccc4)C(=O)Nc4ccccc43)C2)cc1.
What is the InChIKey of 3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one?
The InChIKey is KQRJMFFMOBWYRC-BRIWLPCBSA-N. The full InChI is InChI=1S/C27H28N2O/c1-20-11-13-21(14-12-20)15-17-29-18-16-23(19-29)27(22-7-3-2-4-8-22)24-9-5-6-10-25(24)28-26(27)30/h2-14,23H,15-19H2,1H3,(H,28,30)/t23-,27?/m1/s1.
What are the key properties of 3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one?
3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one has a molecular weight of 396.53 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 139845149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).