(4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

C24H27NO2 — CID 991904

IUPAC(4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESCC(C)(C)c1ccc(CN2C(=O)C[C@]3(CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C24H27NO2/c1-23(2,3)19-12-10-17(11-13-19)16-25-21(26)15-24(22(25)27)14-6-8-18-7-4-5-9-20(18)24/h4-5,7,9-13H,6,8,14-16H2,1-3H3/t24-/m0/s1
InChIKeyVYXMARSFKBTTGY-DEOSSOPVSA-N
MW361.49 g/mol
LogP4.52
Rot. Bonds2

About (4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

(4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (PubChem CID 991904) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name(4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
PubChem CID991904
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name(4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESCC(C)(C)c1ccc(CN2C(=O)C[C@]3(CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C24H27NO2/c1-23(2,3)19-12-10-17(11-13-19)16-25-21(26)15-24(22(25)27)14-6-8-18-7-4-5-9-20(18)24/h4-5,7,9-13H,6,8,14-16H2,1-3H3/t24-/m0/s1
InChIKeyVYXMARSFKBTTGY-DEOSSOPVSA-N
XLogP4.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3'-[(4-tert-butylphenyl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 18228444
(3S)-3'-[(4-tert-butylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40857295
1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one
CID 169057699
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide
CID 99820044
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 167892355
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide
CID 97347932
1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 110026793
(4S)-3'-[(4-propan-2-ylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240566
1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 75475833
N-cyclopentyl-N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)acetamide
CID 127795670

Frequently Asked Questions

What is the IUPAC name of (4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of (4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (CID 991904) is (4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for (4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for (4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is CC(C)(C)c1ccc(CN2C(=O)C[C@]3(CCCc4ccccc43)C2=O)cc1.
What is the InChIKey of (4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The InChIKey is VYXMARSFKBTTGY-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27NO2/c1-23(2,3)19-12-10-17(11-13-19)16-25-21(26)15-24(22(25)27)14-6-8-18-7-4-5-9-20(18)24/h4-5,7,9-13H,6,8,14-16H2,1-3H3/t24-/m0/s1.
What are the key properties of (4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
(4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione has a molecular weight of 361.49 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 991904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).