[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone

C23H26N2O2 — CID 97215439

IUPAC[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OCc1cccnc1)N1CCC[C@]2(CC=CCC2)C1
InChIInChI=1S/C23H26N2O2/c26-22(25-15-7-13-23(18-25)11-4-1-5-12-23)20-9-2-3-10-21(20)27-17-19-8-6-14-24-16-19/h1-4,6,8-10,14,16H,5,7,11-13,15,17-18H2/t23-/m1/s1
InChIKeyCVYKXQICBVCRDO-HSZRJFAPSA-N
MW362.47 g/mol
LogP4.62
Rot. Bonds4

About [(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone

[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone (PubChem CID 97215439) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is [(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone
PubChem CID97215439
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OCc1cccnc1)N1CCC[C@]2(CC=CCC2)C1
InChIInChI=1S/C23H26N2O2/c26-22(25-15-7-13-23(18-25)11-4-1-5-12-23)20-9-2-3-10-21(20)27-17-19-8-6-14-24-16-19/h1-4,6,8-10,14,16H,5,7,11-13,15,17-18H2/t23-/m1/s1
InChIKeyCVYKXQICBVCRDO-HSZRJFAPSA-N
XLogP4.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone?
The IUPAC name of [(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone (CID 97215439) is [(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone?
The canonical SMILES for [(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone is O=C(c1ccccc1OCc1cccnc1)N1CCC[C@]2(CC=CCC2)C1.
What is the InChIKey of [(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone?
The InChIKey is CVYKXQICBVCRDO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-22(25-15-7-13-23(18-25)11-4-1-5-12-23)20-9-2-3-10-21(20)27-17-19-8-6-14-24-16-19/h1-4,6,8-10,14,16H,5,7,11-13,15,17-18H2/t23-/m1/s1.
What are the key properties of [(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone?
[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone has a molecular weight of 362.47 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 97215439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).