1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one

C19H19NO — CID 169057699

IUPAC1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one
SMILESO=C1N(Cc2ccccc2)CC12CCCc1ccccc12
InChIInChI=1S/C19H19NO/c21-18-19(12-6-10-16-9-4-5-11-17(16)19)14-20(18)13-15-7-2-1-3-8-15/h1-5,7-9,11H,6,10,12-14H2
InChIKeySJYUAHQWQSHBDJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.30
Rot. Bonds2

About 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one

1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one (PubChem CID 169057699) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one.

Molecular Properties

Compound Name1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one
PubChem CID169057699
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one
SMILESO=C1N(Cc2ccccc2)CC12CCCc1ccccc12
InChIInChI=1S/C19H19NO/c21-18-19(12-6-10-16-9-4-5-11-17(16)19)14-20(18)13-15-7-2-1-3-8-15/h1-5,7-9,11H,6,10,12-14H2
InChIKeySJYUAHQWQSHBDJ-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
2-benzyl-2-azaspiro[3.5]nonane-3,6-dione
CID 14964087
(4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 991904
(8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one
CID 10681742
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334
1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 54482081
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one
CID 102589034
N'-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227787
N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227786

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one?
The IUPAC name of 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one (CID 169057699) is 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one.
What is the SMILES notation for 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one?
The canonical SMILES for 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one is O=C1N(Cc2ccccc2)CC12CCCc1ccccc12.
What is the InChIKey of 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one?
The InChIKey is SJYUAHQWQSHBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c21-18-19(12-6-10-16-9-4-5-11-17(16)19)14-20(18)13-15-7-2-1-3-8-15/h1-5,7-9,11H,6,10,12-14H2.
What are the key properties of 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one?
1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one has a molecular weight of 277.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one is sourced from PubChem (CID 169057699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).