6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone

C18H19NO — CID 116573122

IUPAC6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)C1CC12CCNCC2
InChIInChI=1S/C18H19NO/c20-17(16-12-18(16)7-9-19-10-8-18)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16,19H,7-10,12H2
InChIKeyLKTVWWZYQODTEW-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.41
Rot. Bonds2

About 6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone

6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone (PubChem CID 116573122) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone
PubChem CID116573122
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)C1CC12CCNCC2
InChIInChI=1S/C18H19NO/c20-17(16-12-18(16)7-9-19-10-8-18)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16,19H,7-10,12H2
InChIKeyLKTVWWZYQODTEW-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116573161
6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone
CID 116573137
6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone
CID 116573257
phenyl(spiro[2.4]heptan-2-yl)methanone
CID 146164846
6-azaspiro[2.5]octan-2-yl-(2,3-dichlorophenyl)methanone
CID 116573087
[(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone
CID 10766739
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one
CID 116573115
6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116573146
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone
CID 10355976
benzyl 6-azaspiro[2.5]octane-2-carboxylate
CID 163299046

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone (CID 116573122) is 6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone is O=C(c1ccc2ccccc2c1)C1CC12CCNCC2.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone?
The InChIKey is LKTVWWZYQODTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-17(16-12-18(16)7-9-19-10-8-18)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16,19H,7-10,12H2.
What are the key properties of 6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone?
6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone is sourced from PubChem (CID 116573122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).