3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate

C15H25NO3 — CID 70679702

IUPAC3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate
SMILESCCC(=O)OCCCN1CCC2(CCCCC2)C1=O
InChIInChI=1S/C15H25NO3/c1-2-13(17)19-12-6-10-16-11-9-15(14(16)18)7-4-3-5-8-15/h2-12H2,1H3
InChIKeyADANSYFDCLHJPX-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.51
Rot. Bonds5

About 3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate

3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate (PubChem CID 70679702) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate.

Molecular Properties

Compound Name3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate
PubChem CID70679702
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate
SMILESCCC(=O)OCCCN1CCC2(CCCCC2)C1=O
InChIInChI=1S/C15H25NO3/c1-2-13(17)19-12-6-10-16-11-9-15(14(16)18)7-4-3-5-8-15/h2-12H2,1H3
InChIKeyADANSYFDCLHJPX-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate?
The IUPAC name of 3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate (CID 70679702) is 3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate.
What is the SMILES notation for 3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate?
The canonical SMILES for 3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate is CCC(=O)OCCCN1CCC2(CCCCC2)C1=O.
What is the InChIKey of 3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate?
The InChIKey is ADANSYFDCLHJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-13(17)19-12-6-10-16-11-9-15(14(16)18)7-4-3-5-8-15/h2-12H2,1H3.
What are the key properties of 3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate?
3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate has a molecular weight of 267.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate is sourced from PubChem (CID 70679702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).