(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one

C16H22N2O — CID 154287674

IUPAC(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one
SMILESC[C@H]1C[C@]2(CN1C(C)(C)C)C(=O)Nc1ccccc12
InChIInChI=1S/C16H22N2O/c1-11-9-16(10-18(11)15(2,3)4)12-7-5-6-8-13(12)17-14(16)19/h5-8,11H,9-10H2,1-4H3,(H,17,19)/t11-,16+/m0/s1
InChIKeyHBWNCRRUKCMGOZ-MEDUHNTESA-N
MW258.36 g/mol
LogP2.77
Rot. Bonds

About (2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one

(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one (PubChem CID 154287674) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one
PubChem CID154287674
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one
SMILESC[C@H]1C[C@]2(CN1C(C)(C)C)C(=O)Nc1ccccc12
InChIInChI=1S/C16H22N2O/c1-11-9-16(10-18(11)15(2,3)4)12-7-5-6-8-13(12)17-14(16)19/h5-8,11H,9-10H2,1-4H3,(H,17,19)/t11-,16+/m0/s1
InChIKeyHBWNCRRUKCMGOZ-MEDUHNTESA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 59069770
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
5'-methylspiro[1H-indole-3,3'-oxane]-2-one
CID 142424167
tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 71494321
(2'S,3R)-2-oxo-1'-propan-2-ylsulfonylspiro[1H-indole-3,4'-pyrrolidine]-2'-carbonitrile
CID 168892944
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
methanamine;spiro[1H-indole-3,3'-azanidacyclobutane]-2-one;yttrium
CID 176955340
(2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862923
methyl (2'S,3S)-1'-(tert-butylsulfanylcarbamoyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 141497092
(3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione
CID 141497085
(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
CID 162959161

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one (CID 154287674) is (2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one is C[C@H]1C[C@]2(CN1C(C)(C)C)C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one?
The InChIKey is HBWNCRRUKCMGOZ-MEDUHNTESA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-9-16(10-18(11)15(2,3)4)12-7-5-6-8-13(12)17-14(16)19/h5-8,11H,9-10H2,1-4H3,(H,17,19)/t11-,16+/m0/s1.
What are the key properties of (2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one?
(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one is sourced from PubChem (CID 154287674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).