8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene

C14H18N2O — CID 68652299

IUPAC8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene
SMILESCOc1ccc(C2=CCC3(CCCN3)C2)cn1
InChIInChI=1S/C14H18N2O/c1-17-13-4-3-12(10-15-13)11-5-7-14(9-11)6-2-8-16-14/h3-5,10,16H,2,6-9H2,1H3
InChIKeyHKCOXDDRDSPRJB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.39
Rot. Bonds2

About 8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene

8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene (PubChem CID 68652299) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene.

Molecular Properties

Compound Name8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene
PubChem CID68652299
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene
SMILESCOc1ccc(C2=CCC3(CCCN3)C2)cn1
InChIInChI=1S/C14H18N2O/c1-17-13-4-3-12(10-15-13)11-5-7-14(9-11)6-2-8-16-14/h3-5,10,16H,2,6-9H2,1H3
InChIKeyHKCOXDDRDSPRJB-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 8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene?
The IUPAC name of 8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene (CID 68652299) is 8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene.
What is the SMILES notation for 8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene?
The canonical SMILES for 8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene is COc1ccc(C2=CCC3(CCCN3)C2)cn1.
What is the InChIKey of 8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene?
The InChIKey is HKCOXDDRDSPRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-13-4-3-12(10-15-13)11-5-7-14(9-11)6-2-8-16-14/h3-5,10,16H,2,6-9H2,1H3.
What are the key properties of 8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene?
8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-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 8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene is sourced from PubChem (CID 68652299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).