7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine

C12H17NO2 — CID 143090871

IUPAC7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine
SMILESCOC1=C(OC)CC=C2CCNCC2=C1
InChIInChI=1S/C12H17NO2/c1-14-11-4-3-9-5-6-13-8-10(9)7-12(11)15-2/h3,7,13H,4-6,8H2,1-2H3
InChIKeyHJZNMYWNOZTQLQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.74
Rot. Bonds2

About 7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine

7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine (PubChem CID 143090871) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine
PubChem CID143090871
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine
SMILESCOC1=C(OC)CC=C2CCNCC2=C1
InChIInChI=1S/C12H17NO2/c1-14-11-4-3-9-5-6-13-8-10(9)7-12(11)15-2/h3,7,13H,4-6,8H2,1-2H3
InChIKeyHJZNMYWNOZTQLQ-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine?
The IUPAC name of 7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine (CID 143090871) is 7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine.
What is the SMILES notation for 7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine?
The canonical SMILES for 7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine is COC1=C(OC)CC=C2CCNCC2=C1.
What is the InChIKey of 7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine?
The InChIKey is HJZNMYWNOZTQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-11-4-3-9-5-6-13-8-10(9)7-12(11)15-2/h3,7,13H,4-6,8H2,1-2H3.
What are the key properties of 7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine?
7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine has a molecular weight of 207.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine is sourced from PubChem (CID 143090871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).