methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate

C21H22N2O3 — CID 134795039

IUPACmethyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(C1)C(=O)N(CCc1ccccc1)c1ccccc12
InChIInChI=1S/C21H22N2O3/c1-26-20(25)22-14-12-21(15-22)17-9-5-6-10-18(17)23(19(21)24)13-11-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeySXUIMPSMVNZQHF-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.99
Rot. Bonds3

About methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate

methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 134795039) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
PubChem CID134795039
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Namemethyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(C1)C(=O)N(CCc1ccccc1)c1ccccc12
InChIInChI=1S/C21H22N2O3/c1-26-20(25)22-14-12-21(15-22)17-9-5-6-10-18(17)23(19(21)24)13-11-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeySXUIMPSMVNZQHF-UHFFFAOYSA-N
XLogP2.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(4-chlorobenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134788843
1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134795624
benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192243
1'-(furan-2-carbonyl)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375649
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 144930300
1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157015900
1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 157018402
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040
N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide
CID 157015540
2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96575863
(3R)-N-(2-methoxyphenyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104057

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate (CID 134795039) is methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate is COC(=O)N1CCC2(C1)C(=O)N(CCc1ccccc1)c1ccccc12.
What is the InChIKey of methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is SXUIMPSMVNZQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-26-20(25)22-14-12-21(15-22)17-9-5-6-10-18(17)23(19(21)24)13-11-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 134795039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).