1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol

C17H23NO — CID 132961416

IUPAC1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
SMILESCc1ccc(C)c(C2=NC(O)CC23CCCCC3)c1
InChIInChI=1S/C17H23NO/c1-12-6-7-13(2)14(10-12)16-17(11-15(19)18-16)8-4-3-5-9-17/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3
InChIKeyAAHCOVCTCIGJLM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.77
Rot. Bonds1

About 1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol

1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol (PubChem CID 132961416) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
PubChem CID132961416
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
SMILESCc1ccc(C)c(C2=NC(O)CC23CCCCC3)c1
InChIInChI=1S/C17H23NO/c1-12-6-7-13(2)14(10-12)16-17(11-15(19)18-16)8-4-3-5-9-17/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3
InChIKeyAAHCOVCTCIGJLM-UHFFFAOYSA-N
XLogP3.77
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol (CID 132961416) is 1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol is Cc1ccc(C)c(C2=NC(O)CC23CCCCC3)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol?
The InChIKey is AAHCOVCTCIGJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12-6-7-13(2)14(10-12)16-17(11-15(19)18-16)8-4-3-5-9-17/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol?
1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol has a molecular weight of 257.38 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol is sourced from PubChem (CID 132961416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).