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

C18H21NO2 — CID 83210018

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(CC3COc4ccccc43)cc21
InChIInChI=1S/C18H21NO2/c20-17-7-3-1-5-13-9-19(11-16(13)17)10-14-12-21-18-8-4-2-6-15(14)18/h2,4,6,8-9,11,14,17,20H,1,3,5,7,10,12H2
InChIKeyLFTOLDPEYPFSPN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.42
Rot. Bonds2

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

2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83210018) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83210018
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(CC3COc4ccccc43)cc21
InChIInChI=1S/C18H21NO2/c20-17-7-3-1-5-13-9-19(11-16(13)17)10-14-12-21-18-8-4-2-6-15(14)18/h2,4,6,8-9,11,14,17,20H,1,3,5,7,10,12H2
InChIKeyLFTOLDPEYPFSPN-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83210018) is 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is OC1CCCCc2cn(CC3COc4ccccc43)cc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is LFTOLDPEYPFSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-17-7-3-1-5-13-9-19(11-16(13)17)10-14-12-21-18-8-4-2-6-15(14)18/h2,4,6,8-9,11,14,17,20H,1,3,5,7,10,12H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 283.37 g/mol, XLogP of 3.42, 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-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83210018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).