9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone

C13H19N3O2 — CID 118771949

IUPAC9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C13H19N3O2/c17-12(11-8-14-15-9-11)16-5-1-2-13(10-16)3-6-18-7-4-13/h8-9H,1-7,10H2,(H,14,15)
InChIKeyOMCPXMNYKPQQAO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.44
Rot. Bonds1

About 9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone

9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone (PubChem CID 118771949) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone
PubChem CID118771949
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C13H19N3O2/c17-12(11-8-14-15-9-11)16-5-1-2-13(10-16)3-6-18-7-4-13/h8-9H,1-7,10H2,(H,14,15)
InChIKeyOMCPXMNYKPQQAO-UHFFFAOYSA-N
XLogP1.44
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone?
The IUPAC name of 9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone (CID 118771949) is 9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for 9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone?
The canonical SMILES for 9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCCC2(CCOCC2)C1.
What is the InChIKey of 9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone?
The InChIKey is OMCPXMNYKPQQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12(11-8-14-15-9-11)16-5-1-2-13(10-16)3-6-18-7-4-13/h8-9H,1-7,10H2,(H,14,15).
What are the key properties of 9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone?
9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-2-azaspiro[5.5]undecan-2-yl(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 118771949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).