5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one

C16H21NO2 — CID 170132557

IUPAC5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
SMILESCC(C)(C)c1ccc2c(c1)CC1(C2)CC(O)NC1=O
InChIInChI=1S/C16H21NO2/c1-15(2,3)12-5-4-10-7-16(8-11(10)6-12)9-13(18)17-14(16)19/h4-6,13,18H,7-9H2,1-3H3,(H,17,19)
InChIKeyWKWPWZAULVXYHM-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.91
Rot. Bonds

About 5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one

5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one (PubChem CID 170132557) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
PubChem CID170132557
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
SMILESCC(C)(C)c1ccc2c(c1)CC1(C2)CC(O)NC1=O
InChIInChI=1S/C16H21NO2/c1-15(2,3)12-5-4-10-7-16(8-11(10)6-12)9-13(18)17-14(16)19/h4-6,13,18H,7-9H2,1-3H3,(H,17,19)
InChIKeyWKWPWZAULVXYHM-UHFFFAOYSA-N
XLogP1.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,5-tritert-butyl-1,3-dihydroindene
CID 165164993
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CID 166091333
6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
CID 166091607
6-tert-butyl-2,3-dihydro-1H-indol-2-ol
CID 146620775
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
3,6-ditert-butyl-3,4-dihydro-1H-naphthalen-2-one
CID 13466563
2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 82384252
6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one
CID 166091623
7-tert-butylspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one
CID 82132378
2-tert-butyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 58124109
(3aS,8bR)-7-tert-butyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
CID 70666143
7-tert-butyl-1,4-dihydroquinoline-2,3-dione
CID 59151703

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one?
The IUPAC name of 5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one (CID 170132557) is 5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one?
The canonical SMILES for 5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one is CC(C)(C)c1ccc2c(c1)CC1(C2)CC(O)NC1=O.
What is the InChIKey of 5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one?
The InChIKey is WKWPWZAULVXYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-15(2,3)12-5-4-10-7-16(8-11(10)6-12)9-13(18)17-14(16)19/h4-6,13,18H,7-9H2,1-3H3,(H,17,19).
What are the key properties of 5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one?
5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one has a molecular weight of 259.35 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 170132557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).