6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one

C16H23N3O2 — CID 71999152

IUPAC6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(=O)N2CCC3(CCCCC3)C2)ccc1=O
InChIInChI=1S/C16H23N3O2/c1-2-19-14(20)7-6-13(17-19)15(21)18-11-10-16(12-18)8-4-3-5-9-16/h6-7H,2-5,8-12H2,1H3
InChIKeyWCPJSWFLIOGTEL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.06
Rot. Bonds2

About 6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one

6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one (PubChem CID 71999152) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one
PubChem CID71999152
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(=O)N2CCC3(CCCCC3)C2)ccc1=O
InChIInChI=1S/C16H23N3O2/c1-2-19-14(20)7-6-13(17-19)15(21)18-11-10-16(12-18)8-4-3-5-9-16/h6-7H,2-5,8-12H2,1H3
InChIKeyWCPJSWFLIOGTEL-UHFFFAOYSA-N
XLogP2.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one (CID 71999152) is 6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one is CCn1nc(C(=O)N2CCC3(CCCCC3)C2)ccc1=O.
What is the InChIKey of 6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one?
The InChIKey is WCPJSWFLIOGTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-19-14(20)7-6-13(17-19)15(21)18-11-10-16(12-18)8-4-3-5-9-16/h6-7H,2-5,8-12H2,1H3.
What are the key properties of 6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one?
6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one has a molecular weight of 289.38 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 71999152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).