pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate

C15H20N2O2 — CID 11108080

IUPACpyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate
SMILESO=C(OCc1ccccn1)/C1=N/CCCCCCC1
InChIInChI=1S/C15H20N2O2/c18-15(19-12-13-8-5-7-10-16-13)14-9-4-2-1-3-6-11-17-14/h5,7-8,10H,1-4,6,9,11-12H2/b17-14+
InChIKeyKRDIZOCZUHHCEU-SAPNQHFASA-N
MW260.34 g/mol
LogP2.92
Rot. Bonds3

About pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate

pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate (PubChem CID 11108080) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate
PubChem CID11108080
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namepyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate
SMILESO=C(OCc1ccccn1)/C1=N/CCCCCCC1
InChIInChI=1S/C15H20N2O2/c18-15(19-12-13-8-5-7-10-16-13)14-9-4-2-1-3-6-11-17-14/h5,7-8,10H,1-4,6,9,11-12H2/b17-14+
InChIKeyKRDIZOCZUHHCEU-SAPNQHFASA-N
XLogP2.92
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate (CID 11108080) is pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate is O=C(OCc1ccccn1)/C1=N/CCCCCCC1.
What is the InChIKey of pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate?
The InChIKey is KRDIZOCZUHHCEU-SAPNQHFASA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19-12-13-8-5-7-10-16-13)14-9-4-2-1-3-6-11-17-14/h5,7-8,10H,1-4,6,9,11-12H2/b17-14+.
What are the key properties of pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate?
pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate is sourced from PubChem (CID 11108080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).