(5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one

C16H19NO2 — CID 132546539

IUPAC(5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one
SMILESCOc1ccc([C@H]2C=C[C@]3(CCN(C)C3=O)C2)cc1
InChIInChI=1S/C16H19NO2/c1-17-10-9-16(15(17)18)8-7-13(11-16)12-3-5-14(19-2)6-4-12/h3-8,13H,9-11H2,1-2H3/t13-,16-/m0/s1
InChIKeyVIISUMYQFOQKQY-BBRMVZONSA-N
MW257.33 g/mol
LogP2.59
Rot. Bonds2

About (5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one

(5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one (PubChem CID 132546539) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one.

Molecular Properties

Compound Name(5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one
PubChem CID132546539
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one
SMILESCOc1ccc([C@H]2C=C[C@]3(CCN(C)C3=O)C2)cc1
InChIInChI=1S/C16H19NO2/c1-17-10-9-16(15(17)18)8-7-13(11-16)12-3-5-14(19-2)6-4-12/h3-8,13H,9-11H2,1-2H3/t13-,16-/m0/s1
InChIKeyVIISUMYQFOQKQY-BBRMVZONSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one?
The IUPAC name of (5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one (CID 132546539) is (5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one.
What is the SMILES notation for (5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one?
The canonical SMILES for (5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one is COc1ccc([C@H]2C=C[C@]3(CCN(C)C3=O)C2)cc1.
What is the InChIKey of (5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one?
The InChIKey is VIISUMYQFOQKQY-BBRMVZONSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17-10-9-16(15(17)18)8-7-13(11-16)12-3-5-14(19-2)6-4-12/h3-8,13H,9-11H2,1-2H3/t13-,16-/m0/s1.
What are the key properties of (5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one?
(5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one has a molecular weight of 257.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-(4-methoxyphenyl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one is sourced from PubChem (CID 132546539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).