methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate

C19H23NO3 — CID 122616255

IUPACmethyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC1(CCN(C3CCC3)C1=O)C2
InChIInChI=1S/C19H23NO3/c1-23-17(21)14-5-6-15-12-19(8-7-13(15)11-14)9-10-20(18(19)22)16-3-2-4-16/h5-6,11,16H,2-4,7-10,12H2,1H3
InChIKeyMXNIBXGRAOCPJN-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.73
Rot. Bonds2

About methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate

methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate (PubChem CID 122616255) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate.

Molecular Properties

Compound Namemethyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
PubChem CID122616255
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namemethyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC1(CCN(C3CCC3)C1=O)C2
InChIInChI=1S/C19H23NO3/c1-23-17(21)14-5-6-15-12-19(8-7-13(15)11-14)9-10-20(18(19)22)16-3-2-4-16/h5-6,11,16H,2-4,7-10,12H2,1H3
InChIKeyMXNIBXGRAOCPJN-UHFFFAOYSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate with MolForge

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Related Compounds

methyl (6R)-1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
CID 140747828
(6R)-1'-cyclobutyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
CID 122616327
methyl 2-cyclopentyl-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 82582498
methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate
CID 138742539
methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 122619725
methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate
CID 143229607
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
N-hydroxy-1'-methyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-azocane]-2-carboxamide
CID 122616612
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
(6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid
CID 122616466
(6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616556
dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
CID 10468672

Frequently Asked Questions

What is the IUPAC name of methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?
The IUPAC name of methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate (CID 122616255) is methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate.
What is the SMILES notation for methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?
The canonical SMILES for methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate is COC(=O)c1ccc2c(c1)CCC1(CCN(C3CCC3)C1=O)C2.
What is the InChIKey of methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?
The InChIKey is MXNIBXGRAOCPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-23-17(21)14-5-6-15-12-19(8-7-13(15)11-14)9-10-20(18(19)22)16-3-2-4-16/h5-6,11,16H,2-4,7-10,12H2,1H3.
What are the key properties of methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?
methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate is sourced from PubChem (CID 122616255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).