(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one

C20H20N2O2 — CID 95103905

IUPAC(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1ccc(C(=O)N2CC[C@@]3(C2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-14-7-9-15(10-8-14)18(23)22-12-11-20(13-22)16-5-3-4-6-17(16)21(2)19(20)24/h3-10H,11-13H2,1-2H3/t20-/m0/s1
InChIKeyNLXTXJRYZITCHP-FQEVSTJZSA-N
MW320.39 g/mol
LogP2.76
Rot. Bonds1

About (3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one

(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 95103905) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID95103905
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1ccc(C(=O)N2CC[C@@]3(C2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-14-7-9-15(10-8-14)18(23)22-12-11-20(13-22)16-5-3-4-6-17(16)21(2)19(20)24/h3-10H,11-13H2,1-2H3/t20-/m0/s1
InChIKeyNLXTXJRYZITCHP-FQEVSTJZSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103940
(3S)-1'-(3,4-dimethoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103926
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144
1'-(cyclopentanecarbonyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177159
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 56885360
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
CID 155825279
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
CID 56893243

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 95103905) is (3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one is Cc1ccc(C(=O)N2CC[C@@]3(C2)C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of (3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is NLXTXJRYZITCHP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-7-9-15(10-8-14)18(23)22-12-11-20(13-22)16-5-3-4-6-17(16)21(2)19(20)24/h3-10H,11-13H2,1-2H3/t20-/m0/s1.
What are the key properties of (3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one?
(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 320.39 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 95103905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).