(4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one

C25H23NO — CID 10665782

IUPAC(4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one
SMILESC[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@]12CCCc1ccccc12
InChIInChI=1S/C25H23NO/c1-18(19-10-3-2-4-11-19)26-24(27)21-14-6-8-16-23(21)25(26)17-9-13-20-12-5-7-15-22(20)25/h2-8,10-12,14-16,18H,9,13,17H2,1H3/t18-,25+/m0/s1
InChIKeyWVVFUCVCWGSDNN-AVRWGWEMSA-N
MW353.47 g/mol
LogP5.48
Rot. Bonds2

About (4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one

(4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one (PubChem CID 10665782) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is (4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one.

Molecular Properties

Compound Name(4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one
PubChem CID10665782
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name(4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one
SMILESC[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@]12CCCc1ccccc12
InChIInChI=1S/C25H23NO/c1-18(19-10-3-2-4-11-19)26-24(27)21-14-6-8-16-23(21)25(26)17-9-13-20-12-5-7-15-22(20)25/h2-8,10-12,14-16,18H,9,13,17H2,1H3/t18-,25+/m0/s1
InChIKeyWVVFUCVCWGSDNN-AVRWGWEMSA-N
XLogP5.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one with MolForge

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Related Compounds

(3S,5'E)-5'-(iodomethylidene)-2-[(1S)-1-phenylethyl]spiro[isoindole-3,3'-oxolane]-1,2'-dione
CID 102406367
3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one
CID 10545686
4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389883
(3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one
CID 11325779
3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one
CID 134463057
4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389334
3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-hydroxyisoindol-1-one
CID 58433814
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
6-(1-phenylethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 2900583
(4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one
CID 11759472
6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
CID 117020911
spiro[2,3-dihydro-1H-naphthalene-4,3'-2-benzofuran]-1'-one
CID 19904308

Frequently Asked Questions

What is the IUPAC name of (4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one?
The IUPAC name of (4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one (CID 10665782) is (4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one.
What is the SMILES notation for (4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one?
The canonical SMILES for (4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one is C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@]12CCCc1ccccc12.
What is the InChIKey of (4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one?
The InChIKey is WVVFUCVCWGSDNN-AVRWGWEMSA-N. The full InChI is InChI=1S/C25H23NO/c1-18(19-10-3-2-4-11-19)26-24(27)21-14-6-8-16-23(21)25(26)17-9-13-20-12-5-7-15-22(20)25/h2-8,10-12,14-16,18H,9,13,17H2,1H3/t18-,25+/m0/s1.
What are the key properties of (4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one?
(4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one has a molecular weight of 353.47 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one is sourced from PubChem (CID 10665782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).