2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one

C14H23NO3 — CID 131166598

IUPAC2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC2(C1)OCCO2)C1CCC1
InChIInChI=1S/C14H23NO3/c1-13(2,11-4-3-5-11)12(16)15-7-6-14(10-15)17-8-9-18-14/h11H,3-10H2,1-2H3
InChIKeyWHXFKXZGXDOBPZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.79
Rot. Bonds2

About 2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one

2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one (PubChem CID 131166598) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one
PubChem CID131166598
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC2(C1)OCCO2)C1CCC1
InChIInChI=1S/C14H23NO3/c1-13(2,11-4-3-5-11)12(16)15-7-6-14(10-15)17-8-9-18-14/h11H,3-10H2,1-2H3
InChIKeyWHXFKXZGXDOBPZ-UHFFFAOYSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one?
The IUPAC name of 2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one (CID 131166598) is 2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one is CC(C)(C(=O)N1CCC2(C1)OCCO2)C1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one?
The InChIKey is WHXFKXZGXDOBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(2,11-4-3-5-11)12(16)15-7-6-14(10-15)17-8-9-18-14/h11H,3-10H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one?
2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one has a molecular weight of 253.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one is sourced from PubChem (CID 131166598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).