1-benzyl-1-azaspiro[4.4]nonan-9-one

C15H19NO — CID 138106111

IUPAC1-benzyl-1-azaspiro[4.4]nonan-9-one
SMILESO=C1CCCC12CCCN2Cc1ccccc1
InChIInChI=1S/C15H19NO/c17-14-8-4-9-15(14)10-5-11-16(15)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2
InChIKeyWIXKZOWBPOFNFE-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.77
Rot. Bonds2

About 1-benzyl-1-azaspiro[4.4]nonan-9-one

1-benzyl-1-azaspiro[4.4]nonan-9-one (PubChem CID 138106111) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-benzyl-1-azaspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name1-benzyl-1-azaspiro[4.4]nonan-9-one
PubChem CID138106111
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-benzyl-1-azaspiro[4.4]nonan-9-one
SMILESO=C1CCCC12CCCN2Cc1ccccc1
InChIInChI=1S/C15H19NO/c17-14-8-4-9-15(14)10-5-11-16(15)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2
InChIKeyWIXKZOWBPOFNFE-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
6-benzyl-6,9-diazaspiro[4.5]decan-4-one
CID 158678480
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 73013443
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
CID 19704375
4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile
CID 162626493
1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
CID 163258380
1-benzyl-2,2-dimethylpiperidin-4-one
CID 4070912
1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride
CID 174330652

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-azaspiro[4.4]nonan-9-one?
The IUPAC name of 1-benzyl-1-azaspiro[4.4]nonan-9-one (CID 138106111) is 1-benzyl-1-azaspiro[4.4]nonan-9-one.
What is the SMILES notation for 1-benzyl-1-azaspiro[4.4]nonan-9-one?
The canonical SMILES for 1-benzyl-1-azaspiro[4.4]nonan-9-one is O=C1CCCC12CCCN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-1-azaspiro[4.4]nonan-9-one?
The InChIKey is WIXKZOWBPOFNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-14-8-4-9-15(14)10-5-11-16(15)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2.
What are the key properties of 1-benzyl-1-azaspiro[4.4]nonan-9-one?
1-benzyl-1-azaspiro[4.4]nonan-9-one has a molecular weight of 229.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-azaspiro[4.4]nonan-9-one is sourced from PubChem (CID 138106111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).