7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one

C15H19NO2 — CID 164646664

IUPAC7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one
SMILESCC1CC2(CC(=O)CO2)CN1Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-12-7-15(8-14(17)10-18-15)11-16(12)9-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyXQLUEJIOSCQJQY-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.01
Rot. Bonds2

About 7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one

7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one (PubChem CID 164646664) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one
PubChem CID164646664
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one
SMILESCC1CC2(CC(=O)CO2)CN1Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-12-7-15(8-14(17)10-18-15)11-16(12)9-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyXQLUEJIOSCQJQY-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
CID 124709041
4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one
CID 91812260
1-benzyl-2,5-dimethylpiperidine
CID 73200484
1-benzyl-2,5-dimethylpiperidin-3-one
CID 54593754
(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one
CID 95242128
[1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine
CID 112742858
(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
CID 10774084
1-benzyl-4,4-dimethylpyrrolidine-2-carbaldehyde
CID 174872704

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
The IUPAC name of 7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one (CID 164646664) is 7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one is CC1CC2(CC(=O)CO2)CN1Cc1ccccc1.
What is the InChIKey of 7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
The InChIKey is XQLUEJIOSCQJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-7-15(8-14(17)10-18-15)11-16(12)9-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one has a molecular weight of 245.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 164646664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).