6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine

C13H19NO2 — CID 142226964

IUPAC6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine
SMILESCOC1=CCC2=C(C=C1OC)CCN(C)C2
InChIInChI=1S/C13H19NO2/c1-14-7-6-10-8-13(16-3)12(15-2)5-4-11(10)9-14/h5,8H,4,6-7,9H2,1-3H3
InChIKeyNZVNUJHFBJBCLO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.08
Rot. Bonds2

About 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine

6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine (PubChem CID 142226964) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine
PubChem CID142226964
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine
SMILESCOC1=CCC2=C(C=C1OC)CCN(C)C2
InChIInChI=1S/C13H19NO2/c1-14-7-6-10-8-13(16-3)12(15-2)5-4-11(10)9-14/h5,8H,4,6-7,9H2,1-3H3
InChIKeyNZVNUJHFBJBCLO-UHFFFAOYSA-N
XLogP2.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine?
The IUPAC name of 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine (CID 142226964) is 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine is COC1=CCC2=C(C=C1OC)CCN(C)C2.
What is the InChIKey of 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine?
The InChIKey is NZVNUJHFBJBCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-7-6-10-8-13(16-3)12(15-2)5-4-11(10)9-14/h5,8H,4,6-7,9H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine?
6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine has a molecular weight of 221.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine is sourced from PubChem (CID 142226964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).