1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone

C20H18FNO3 — CID 166205212

IUPAC1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
SMILESO=C(c1cccc2c1OCO2)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H18FNO3/c21-14-6-4-7-15-17(14)20(9-1-2-10-20)11-22(15)19(23)13-5-3-8-16-18(13)25-12-24-16/h3-8H,1-2,9-12H2
InChIKeyWAJKLBNRSAXCPA-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.03
Rot. Bonds1

About 1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone

1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone (PubChem CID 166205212) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
PubChem CID166205212
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
SMILESO=C(c1cccc2c1OCO2)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H18FNO3/c21-14-6-4-7-15-17(14)20(9-1-2-10-20)11-22(15)19(23)13-5-3-8-16-18(13)25-12-24-16/h3-8H,1-2,9-12H2
InChIKeyWAJKLBNRSAXCPA-UHFFFAOYSA-N
XLogP4.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
The IUPAC name of 1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone (CID 166205212) is 1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone is O=C(c1cccc2c1OCO2)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of 1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
The InChIKey is WAJKLBNRSAXCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c21-14-6-4-7-15-17(14)20(9-1-2-10-20)11-22(15)19(23)13-5-3-8-16-18(13)25-12-24-16/h3-8H,1-2,9-12H2.
What are the key properties of 1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone has a molecular weight of 339.37 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone is sourced from PubChem (CID 166205212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).