1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol

C16H21NO — CID 132961414

IUPAC1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
SMILESCc1ccc(C2=NC(O)CC23CCCCC3)cc1
InChIInChI=1S/C16H21NO/c1-12-5-7-13(8-6-12)15-16(11-14(18)17-15)9-3-2-4-10-16/h5-8,14,18H,2-4,9-11H2,1H3
InChIKeyOPBLRVAVNPPPOX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.46
Rot. Bonds1

About 1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol

1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol (PubChem CID 132961414) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
PubChem CID132961414
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
SMILESCc1ccc(C2=NC(O)CC23CCCCC3)cc1
InChIInChI=1S/C16H21NO/c1-12-5-7-13(8-6-12)15-16(11-14(18)17-15)9-3-2-4-10-16/h5-8,14,18H,2-4,9-11H2,1H3
InChIKeyOPBLRVAVNPPPOX-UHFFFAOYSA-N
XLogP3.46
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol?
The IUPAC name of 1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol (CID 132961414) is 1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol.
What is the SMILES notation for 1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol?
The canonical SMILES for 1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol is Cc1ccc(C2=NC(O)CC23CCCCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol?
The InChIKey is OPBLRVAVNPPPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-5-7-13(8-6-12)15-16(11-14(18)17-15)9-3-2-4-10-16/h5-8,14,18H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol?
1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol has a molecular weight of 243.35 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol is sourced from PubChem (CID 132961414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).