6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene

C15H20N2O — CID 68652404

IUPAC6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene
SMILESCC(C)Oc1cncc(C2=CC3(CC2)CNC3)c1
InChIInChI=1S/C15H20N2O/c1-11(2)18-14-5-13(7-16-8-14)12-3-4-15(6-12)9-17-10-15/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyPGVUOFXBSIQMJL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.64
Rot. Bonds3

About 6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene

6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene (PubChem CID 68652404) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene.

Molecular Properties

Compound Name6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene
PubChem CID68652404
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene
SMILESCC(C)Oc1cncc(C2=CC3(CC2)CNC3)c1
InChIInChI=1S/C15H20N2O/c1-11(2)18-14-5-13(7-16-8-14)12-3-4-15(6-12)9-17-10-15/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyPGVUOFXBSIQMJL-UHFFFAOYSA-N
XLogP2.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene?
The IUPAC name of 6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene (CID 68652404) is 6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene.
What is the SMILES notation for 6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene?
The canonical SMILES for 6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene is CC(C)Oc1cncc(C2=CC3(CC2)CNC3)c1.
What is the InChIKey of 6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene?
The InChIKey is PGVUOFXBSIQMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)18-14-5-13(7-16-8-14)12-3-4-15(6-12)9-17-10-15/h5-8,11,17H,3-4,9-10H2,1-2H3.
What are the key properties of 6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene?
6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene has a molecular weight of 244.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene is sourced from PubChem (CID 68652404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).