3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene

C14H18N2O — CID 10220229

IUPAC3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESCOc1cncc(C2=CC3CCCC(C2)N3)c1
InChIInChI=1S/C14H18N2O/c1-17-14-7-11(8-15-9-14)10-5-12-3-2-4-13(6-10)16-12/h5,7-9,12-13,16H,2-4,6H2,1H3
InChIKeyUSVAHAACEDZWOK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.39
Rot. Bonds2

About 3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene

3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 10220229) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene
PubChem CID10220229
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESCOc1cncc(C2=CC3CCCC(C2)N3)c1
InChIInChI=1S/C14H18N2O/c1-17-14-7-11(8-15-9-14)10-5-12-3-2-4-13(6-10)16-12/h5,7-9,12-13,16H,2-4,6H2,1H3
InChIKeyUSVAHAACEDZWOK-UHFFFAOYSA-N
XLogP2.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene (CID 10220229) is 3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene is COc1cncc(C2=CC3CCCC(C2)N3)c1.
What is the InChIKey of 3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is USVAHAACEDZWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-14-7-11(8-15-9-14)10-5-12-3-2-4-13(6-10)16-12/h5,7-9,12-13,16H,2-4,6H2,1H3.
What are the key properties of 3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene?
3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 230.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 10220229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).