tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate

C18H22N2O4 — CID 15488102

IUPACtert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate
SMILESCOc1ccc2c(c1)C1(C=CN(C(=O)OC(C)(C)C)C1)C(=O)N2C
InChIInChI=1S/C18H22N2O4/c1-17(2,3)24-16(22)20-9-8-18(11-20)13-10-12(23-5)6-7-14(13)19(4)15(18)21/h6-10H,11H2,1-5H3
InChIKeyIDEPHKBFYOGKGD-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.67
Rot. Bonds1

About tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate

tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate (PubChem CID 15488102) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate
PubChem CID15488102
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nametert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate
SMILESCOc1ccc2c(c1)C1(C=CN(C(=O)OC(C)(C)C)C1)C(=O)N2C
InChIInChI=1S/C18H22N2O4/c1-17(2,3)24-16(22)20-9-8-18(11-20)13-10-12(23-5)6-7-14(13)19(4)15(18)21/h6-10H,11H2,1-5H3
InChIKeyIDEPHKBFYOGKGD-UHFFFAOYSA-N
XLogP2.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
CID 11486531
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
ethyl 3-fluoro-5-methoxy-1-methyl-2-oxoindole-3-carboxylate
CID 162342797
tert-butyl (3S)-5-methoxy-2-oxo-3-phenyl-3-phenylsulfanylindole-1-carboxylate
CID 102488067
tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
CID 102451331
tert-butyl 5'-methoxy-2'-[(4-methoxyphenyl)methyl]-3'-oxospiro[2,3-dihydropyridine-4,1'-isoindole]-1-carboxylate;ethane
CID 142847057
tert-butyl (3R)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706344
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343
tert-butyl 3,3-dicyano-2H-pyrrole-1-carboxylate
CID 133188407
(3S)-1'-(3,5-dimethoxybenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104144
3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
CID 122383976

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
The IUPAC name of tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate (CID 15488102) is tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate.
What is the SMILES notation for tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
The canonical SMILES for tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate is COc1ccc2c(c1)C1(C=CN(C(=O)OC(C)(C)C)C1)C(=O)N2C.
What is the InChIKey of tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
The InChIKey is IDEPHKBFYOGKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-17(2,3)24-16(22)20-9-8-18(11-20)13-10-12(23-5)6-7-14(13)19(4)15(18)21/h6-10H,11H2,1-5H3.
What are the key properties of tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate is sourced from PubChem (CID 15488102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).