methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

C14H17NO2 — CID 134459797

IUPACmethyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
SMILESCOC(=O)c1cccc2c1CC1(CCNC1)C2
InChIInChI=1S/C14H17NO2/c1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h2-4,15H,5-9H2,1H3
InChIKeyXFIVSCZQLFMRSM-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.55
Rot. Bonds1

About methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (PubChem CID 134459797) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.

Molecular Properties

Compound Namemethyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
PubChem CID134459797
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namemethyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
SMILESCOC(=O)c1cccc2c1CC1(CCNC1)C2
InChIInChI=1S/C14H17NO2/c1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h2-4,15H,5-9H2,1H3
InChIKeyXFIVSCZQLFMRSM-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
1-spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-ylethanone
CID 144506511
N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 167629186
1'-benzyl-N-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide;methyl 1'-benzylspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxylate
CID 157115819
methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate
CID 117028734
methyl 3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CID 130041121
methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 154145371
methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate
CID 11085000
methyl 3-(3-methylpyrrolidin-3-yl)benzoate
CID 117068564
methyl spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]-6-carboxylate
CID 115100140
methyl 2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylate
CID 130120340
methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387

Frequently Asked Questions

What is the IUPAC name of methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
The IUPAC name of methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (CID 134459797) is methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.
What is the SMILES notation for methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
The canonical SMILES for methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is COC(=O)c1cccc2c1CC1(CCNC1)C2.
What is the InChIKey of methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
The InChIKey is XFIVSCZQLFMRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h2-4,15H,5-9H2,1H3.
What are the key properties of methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is sourced from PubChem (CID 134459797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).