3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one

C17H28N2O2 — CID 56790729

IUPAC3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCCC2(CC=CCC2)C1)N1CCOCC1
InChIInChI=1S/C17H28N2O2/c20-16(19-11-13-21-14-12-19)5-10-18-9-4-8-17(15-18)6-2-1-3-7-17/h1-2H,3-15H2
InChIKeyVLHJVMKXUPBWDY-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.06
Rot. Bonds3

About 3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one

3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 56790729) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID56790729
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCCC2(CC=CCC2)C1)N1CCOCC1
InChIInChI=1S/C17H28N2O2/c20-16(19-11-13-21-14-12-19)5-10-18-9-4-8-17(15-18)6-2-1-3-7-17/h1-2H,3-15H2
InChIKeyVLHJVMKXUPBWDY-UHFFFAOYSA-N
XLogP2.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one (CID 56790729) is 3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one is O=C(CCN1CCCC2(CC=CCC2)C1)N1CCOCC1.
What is the InChIKey of 3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is VLHJVMKXUPBWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16(19-11-13-21-14-12-19)5-10-18-9-4-8-17(15-18)6-2-1-3-7-17/h1-2H,3-15H2.
What are the key properties of 3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one?
3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 292.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[5.5]undec-9-en-2-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 56790729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).