2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone

C18H22N4O — CID 136565732

IUPAC2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone
SMILESCCn1cc(CC(=O)N2CCC3(CCc4ccccc43)C2)nn1
InChIInChI=1S/C18H22N4O/c1-2-22-12-15(19-20-22)11-17(23)21-10-9-18(13-21)8-7-14-5-3-4-6-16(14)18/h3-6,12H,2,7-11,13H2,1H3
InChIKeyXSTVAUJBCHVXMZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.96
Rot. Bonds3

About 2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone

2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone (PubChem CID 136565732) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone
PubChem CID136565732
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone
SMILESCCn1cc(CC(=O)N2CCC3(CCc4ccccc43)C2)nn1
InChIInChI=1S/C18H22N4O/c1-2-22-12-15(19-20-22)11-17(23)21-10-9-18(13-21)8-7-14-5-3-4-6-16(14)18/h3-6,12H,2,7-11,13H2,1H3
InChIKeyXSTVAUJBCHVXMZ-UHFFFAOYSA-N
XLogP1.96
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyltriazol-4-yl)-1-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 136564721
1-(7-chloro-8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethyltriazol-4-yl)ethanone
CID 136565712
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
[4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone
CID 166373453
2-methyl-4-(2-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylethyl)phthalazin-1-one
CID 166231935
(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one
CID 129466127
spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 127437163
(1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
CID 136564929
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 74243754
2-[4-[[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698564
2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone
CID 75388098
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
CID 166613892

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone?
The IUPAC name of 2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone (CID 136565732) is 2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone is CCn1cc(CC(=O)N2CCC3(CCc4ccccc43)C2)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone?
The InChIKey is XSTVAUJBCHVXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-22-12-15(19-20-22)11-17(23)21-10-9-18(13-21)8-7-14-5-3-4-6-16(14)18/h3-6,12H,2,7-11,13H2,1H3.
What are the key properties of 2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone?
2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone has a molecular weight of 310.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone is sourced from PubChem (CID 136565732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).