methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate

C15H17NO3 — CID 122619725

IUPACmethyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C[C@]1(CCNC1=O)CC2
InChIInChI=1S/C15H17NO3/c1-19-13(17)11-3-2-10-4-5-15(9-12(10)8-11)6-7-16-14(15)18/h2-3,8H,4-7,9H2,1H3,(H,16,18)/t15-/m1/s1
InChIKeyOBTWBMBNFXTKBU-OAHLLOKOSA-N
MW259.31 g/mol
LogP1.47
Rot. Bonds1

About methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate

methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate (PubChem CID 122619725) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate.

Molecular Properties

Compound Namemethyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
PubChem CID122619725
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C[C@]1(CCNC1=O)CC2
InChIInChI=1S/C15H17NO3/c1-19-13(17)11-3-2-10-4-5-15(9-12(10)8-11)6-7-16-14(15)18/h2-3,8H,4-7,9H2,1H3,(H,16,18)/t15-/m1/s1
InChIKeyOBTWBMBNFXTKBU-OAHLLOKOSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate
CID 138742539
ethane;methyl 2'-oxo-1'-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 145171320
7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
CID 122634837
(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616298
(7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623083
(7S)-N-hydroxy-2'-oxo-N-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122622984
(7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623057
(7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623007
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
(7S)-N-[(3-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122622966
(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

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate?
The IUPAC name of methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate (CID 122619725) is methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate.
What is the SMILES notation for methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate?
The canonical SMILES for methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate is COC(=O)c1ccc2c(c1)C[C@]1(CCNC1=O)CC2.
What is the InChIKey of methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate?
The InChIKey is OBTWBMBNFXTKBU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO3/c1-19-13(17)11-3-2-10-4-5-15(9-12(10)8-11)6-7-16-14(15)18/h2-3,8H,4-7,9H2,1H3,(H,16,18)/t15-/m1/s1.
What are the key properties of methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate?
methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate is sourced from PubChem (CID 122619725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).