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

C12H19NO2 — CID 83208162

IUPAC2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCOCCn1cc2c(c1)C(O)CCCC2
InChIInChI=1S/C12H19NO2/c1-15-7-6-13-8-10-4-2-3-5-12(14)11(10)9-13/h8-9,12,14H,2-7H2,1H3
InChIKeyTVBWJIRIOCUSCW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.89
Rot. Bonds3

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

2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83208162) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83208162
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCOCCn1cc2c(c1)C(O)CCCC2
InChIInChI=1S/C12H19NO2/c1-15-7-6-13-8-10-4-2-3-5-12(14)11(10)9-13/h8-9,12,14H,2-7H2,1H3
InChIKeyTVBWJIRIOCUSCW-UHFFFAOYSA-N
XLogP1.89
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83208162) is 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is COCCn1cc2c(c1)C(O)CCCC2.
What is the InChIKey of 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is TVBWJIRIOCUSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-15-7-6-13-8-10-4-2-3-5-12(14)11(10)9-13/h8-9,12,14H,2-7H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 209.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83208162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).