2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C17H21NO2 — CID 83208561

IUPAC2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(CCOc3ccccc3)cc21
InChIInChI=1S/C17H21NO2/c19-17-9-5-4-6-14-12-18(13-16(14)17)10-11-20-15-7-2-1-3-8-15/h1-3,7-8,12-13,17,19H,4-6,9-11H2
InChIKeyIVWTZXKUTMMPDQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.33
Rot. Bonds4

About 2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83208561) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83208561
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(CCOc3ccccc3)cc21
InChIInChI=1S/C17H21NO2/c19-17-9-5-4-6-14-12-18(13-16(14)17)10-11-20-15-7-2-1-3-8-15/h1-3,7-8,12-13,17,19H,4-6,9-11H2
InChIKeyIVWTZXKUTMMPDQ-UHFFFAOYSA-N
XLogP3.33
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83208561) is 2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is OC1CCCCc2cn(CCOc3ccccc3)cc21.
What is the InChIKey of 2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is IVWTZXKUTMMPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17-9-5-4-6-14-12-18(13-16(14)17)10-11-20-15-7-2-1-3-8-15/h1-3,7-8,12-13,17,19H,4-6,9-11H2.
What are the key properties of 2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 271.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83208561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).