5-benzyl-5-azaspiro[2.3]hexan-6-one

C12H13NO — CID 11492070

IUPAC5-benzyl-5-azaspiro[2.3]hexan-6-one
SMILESO=C1N(Cc2ccccc2)CC12CC2
InChIInChI=1S/C12H13NO/c14-11-12(6-7-12)9-13(11)8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyALFDIRPDRSESDL-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.81
Rot. Bonds2

About 5-benzyl-5-azaspiro[2.3]hexan-6-one

5-benzyl-5-azaspiro[2.3]hexan-6-one (PubChem CID 11492070) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-benzyl-5-azaspiro[2.3]hexan-6-one.

Molecular Properties

Compound Name5-benzyl-5-azaspiro[2.3]hexan-6-one
PubChem CID11492070
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-benzyl-5-azaspiro[2.3]hexan-6-one
SMILESO=C1N(Cc2ccccc2)CC12CC2
InChIInChI=1S/C12H13NO/c14-11-12(6-7-12)9-13(11)8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyALFDIRPDRSESDL-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
2-benzyl-2-azaspiro[3.5]nonane-3,6-dione
CID 14964087
7-benzylsulfonyl-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 91909942
(3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one
CID 101455407
3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 100947193
5-benzyl-7-ethenyl-7-methyl-5-azaspiro[2.4]heptan-4-one
CID 67974419
2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one
CID 126703053
1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one
CID 169057699
2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 91909937
2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 91909934
9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione
CID 163249873
(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one
CID 10751244

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-azaspiro[2.3]hexan-6-one?
The IUPAC name of 5-benzyl-5-azaspiro[2.3]hexan-6-one (CID 11492070) is 5-benzyl-5-azaspiro[2.3]hexan-6-one.
What is the SMILES notation for 5-benzyl-5-azaspiro[2.3]hexan-6-one?
The canonical SMILES for 5-benzyl-5-azaspiro[2.3]hexan-6-one is O=C1N(Cc2ccccc2)CC12CC2.
What is the InChIKey of 5-benzyl-5-azaspiro[2.3]hexan-6-one?
The InChIKey is ALFDIRPDRSESDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-11-12(6-7-12)9-13(11)8-10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 5-benzyl-5-azaspiro[2.3]hexan-6-one?
5-benzyl-5-azaspiro[2.3]hexan-6-one has a molecular weight of 187.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-azaspiro[2.3]hexan-6-one is sourced from PubChem (CID 11492070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).