6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide

C13H15FN2O — CID 114487148

IUPAC6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide
SMILESNC(=O)C1CNCC12CCc1cc(F)ccc12
InChIInChI=1S/C13H15FN2O/c14-9-1-2-10-8(5-9)3-4-13(10)7-16-6-11(13)12(15)17/h1-2,5,11,16H,3-4,6-7H2,(H2,15,17)
InChIKeyJFTHQRKMPBOEKI-UHFFFAOYSA-N
MW234.27 g/mol
LogP0.71
Rot. Bonds1

About 6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide

6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide (PubChem CID 114487148) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide.

Molecular Properties

Compound Name6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide
PubChem CID114487148
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide
SMILESNC(=O)C1CNCC12CCc1cc(F)ccc12
InChIInChI=1S/C13H15FN2O/c14-9-1-2-10-8(5-9)3-4-13(10)7-16-6-11(13)12(15)17/h1-2,5,11,16H,3-4,6-7H2,(H2,15,17)
InChIKeyJFTHQRKMPBOEKI-UHFFFAOYSA-N
XLogP0.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide
CID 116531217
1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane
CID 142391765
(1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 170693906
1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531692
5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
CID 116531255
[7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone
CID 76820018
(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
CID 115057321
5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid
CID 116531327
6-fluoro-5'-methylspiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
CID 116532160
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428
4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 114834626

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide?
The IUPAC name of 6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide (CID 114487148) is 6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide.
What is the SMILES notation for 6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide?
The canonical SMILES for 6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide is NC(=O)C1CNCC12CCc1cc(F)ccc12.
What is the InChIKey of 6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide?
The InChIKey is JFTHQRKMPBOEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-9-1-2-10-8(5-9)3-4-13(10)7-16-6-11(13)12(15)17/h1-2,5,11,16H,3-4,6-7H2,(H2,15,17).
What are the key properties of 6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide?
6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide has a molecular weight of 234.27 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide is sourced from PubChem (CID 114487148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).