2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine

C14H19NO2 — CID 139399449

IUPAC2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine
SMILESC=CN1CCC2=CCC(OC)=C(OC)C=C2C1
InChIInChI=1S/C14H19NO2/c1-4-15-8-7-11-5-6-13(16-2)14(17-3)9-12(11)10-15/h4-5,9H,1,6-8,10H2,2-3H3
InChIKeyYOSBFCDBBRISGB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.60
Rot. Bonds3

About 2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine

2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine (PubChem CID 139399449) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine.

Molecular Properties

Compound Name2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine
PubChem CID139399449
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine
SMILESC=CN1CCC2=CCC(OC)=C(OC)C=C2C1
InChIInChI=1S/C14H19NO2/c1-4-15-8-7-11-5-6-13(16-2)14(17-3)9-12(11)10-15/h4-5,9H,1,6-8,10H2,2-3H3
InChIKeyYOSBFCDBBRISGB-UHFFFAOYSA-N
XLogP2.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine?
The IUPAC name of 2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine (CID 139399449) is 2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine.
What is the SMILES notation for 2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine?
The canonical SMILES for 2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine is C=CN1CCC2=CCC(OC)=C(OC)C=C2C1.
What is the InChIKey of 2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine?
The InChIKey is YOSBFCDBBRISGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-15-8-7-11-5-6-13(16-2)14(17-3)9-12(11)10-15/h4-5,9H,1,6-8,10H2,2-3H3.
What are the key properties of 2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine?
2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine has a molecular weight of 233.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine is sourced from PubChem (CID 139399449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).