6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one

C14H17NO — CID 144760105

IUPAC6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one
SMILESCc1ccc(N2CCC3(CC3)CC2=O)cc1
InChIInChI=1S/C14H17NO/c1-11-2-4-12(5-3-11)15-9-8-14(6-7-14)10-13(15)16/h2-5H,6-10H2,1H3
InChIKeyGFIHGRDHNOXQAX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.90
Rot. Bonds1

About 6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one

6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one (PubChem CID 144760105) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one
PubChem CID144760105
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one
SMILESCc1ccc(N2CCC3(CC3)CC2=O)cc1
InChIInChI=1S/C14H17NO/c1-11-2-4-12(5-3-11)15-9-8-14(6-7-14)10-13(15)16/h2-5H,6-10H2,1H3
InChIKeyGFIHGRDHNOXQAX-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134073060
7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131652638
7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131682245
3-(4-methylphenyl)-1,3-selenazolidin-2-one
CID 102032359
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
2-(4-methylphenyl)-7-(2-phenylacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134070621
2-(4-fluorophenyl)-7-[(4-methylphenyl)methylsulfonyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131641174
(5S)-2-(4-methylphenyl)-7-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398955
ethane;1-(4-methylphenyl)piperazin-2-one
CID 142224264
2-methyl-7-(4-methylphenyl)-2,7-diazaspiro[3.5]nonane
CID 163257013
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
2-methyl-1-(4-methylphenyl)pyrazolidin-3-one
CID 54165134

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one?
The IUPAC name of 6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one (CID 144760105) is 6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one.
What is the SMILES notation for 6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one?
The canonical SMILES for 6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one is Cc1ccc(N2CCC3(CC3)CC2=O)cc1.
What is the InChIKey of 6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one?
The InChIKey is GFIHGRDHNOXQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-2-4-12(5-3-11)15-9-8-14(6-7-14)10-13(15)16/h2-5H,6-10H2,1H3.
What are the key properties of 6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one?
6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one has a molecular weight of 215.30 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one is sourced from PubChem (CID 144760105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).