7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one

C15H17NO2 — CID 122634837

IUPAC7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
SMILESCC(=O)c1ccc2c(c1)CCC1(CCNC1=O)C2
InChIInChI=1S/C15H17NO2/c1-10(17)11-2-3-13-9-15(5-4-12(13)8-11)6-7-16-14(15)18/h2-3,8H,4-7,9H2,1H3,(H,16,18)
InChIKeyGIYVXWLRSIRTNX-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.88
Rot. Bonds1

About 7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one

7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one (PubChem CID 122634837) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
PubChem CID122634837
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
SMILESCC(=O)c1ccc2c(c1)CCC1(CCNC1=O)C2
InChIInChI=1S/C15H17NO2/c1-10(17)11-2-3-13-9-15(5-4-12(13)8-11)6-7-16-14(15)18/h2-3,8H,4-7,9H2,1H3,(H,16,18)
InChIKeyGIYVXWLRSIRTNX-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616298
methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 122619725
(6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624611
methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate
CID 138742539
(6R)-N-hydroxy-N-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624547
(6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624614
(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624532
(6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624691
(6R)-N-cyclopropyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
CID 122624589
(6R)-N-hydroxy-2'-oxo-N-quinolin-3-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624596
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 67161719
(7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623083

Frequently Asked Questions

What is the IUPAC name of 7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one?
The IUPAC name of 7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one (CID 122634837) is 7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one?
The canonical SMILES for 7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one is CC(=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.
What is the InChIKey of 7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one?
The InChIKey is GIYVXWLRSIRTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(17)11-2-3-13-9-15(5-4-12(13)8-11)6-7-16-14(15)18/h2-3,8H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one?
7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one has a molecular weight of 243.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 122634837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).