2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one

C11H19NO2 — CID 131084716

IUPAC2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCCC12CCOC2
InChIInChI=1S/C11H19NO2/c1-9(2)10(13)12-6-3-4-11(12)5-7-14-8-11/h9H,3-8H2,1-2H3
InChIKeyQAUXIPUPGYWPBG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds1

About 2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one

2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one (PubChem CID 131084716) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
PubChem CID131084716
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCCC12CCOC2
InChIInChI=1S/C11H19NO2/c1-9(2)10(13)12-6-3-4-11(12)5-7-14-8-11/h9H,3-8H2,1-2H3
InChIKeyQAUXIPUPGYWPBG-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one (CID 131084716) is 2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one is CC(C)C(=O)N1CCCC12CCOC2.
What is the InChIKey of 2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
The InChIKey is QAUXIPUPGYWPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)10(13)12-6-3-4-11(12)5-7-14-8-11/h9H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one is sourced from PubChem (CID 131084716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).