2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C18H21NO2 — CID 83210212

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(CC3Cc4ccccc4O3)cc21
InChIInChI=1S/C18H21NO2/c20-17-7-3-1-6-14-10-19(12-16(14)17)11-15-9-13-5-2-4-8-18(13)21-15/h2,4-5,8,10,12,15,17,20H,1,3,6-7,9,11H2
InChIKeyFWNBWMVGECADFX-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.25
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83210212) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83210212
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(CC3Cc4ccccc4O3)cc21
InChIInChI=1S/C18H21NO2/c20-17-7-3-1-6-14-10-19(12-16(14)17)11-15-9-13-5-2-4-8-18(13)21-15/h2,4-5,8,10,12,15,17,20H,1,3,6-7,9,11H2
InChIKeyFWNBWMVGECADFX-UHFFFAOYSA-N
XLogP3.25
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83210212) is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is OC1CCCCc2cn(CC3Cc4ccccc4O3)cc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is FWNBWMVGECADFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-17-7-3-1-6-14-10-19(12-16(14)17)11-15-9-13-5-2-4-8-18(13)21-15/h2,4-5,8,10,12,15,17,20H,1,3,6-7,9,11H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 283.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83210212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).