2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one

C13H22N2O2 — CID 118325627

IUPAC2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one
SMILESCCCCCC1CCC2(CC1)OC(N)=NC2=O
InChIInChI=1S/C13H22N2O2/c1-2-3-4-5-10-6-8-13(9-7-10)11(16)15-12(14)17-13/h10H,2-9H2,1H3,(H2,14,15,16)
InChIKeyXZVNMYSPAUZLTI-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.37
Rot. Bonds4

About 2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one

2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one (PubChem CID 118325627) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one
PubChem CID118325627
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one
SMILESCCCCCC1CCC2(CC1)OC(N)=NC2=O
InChIInChI=1S/C13H22N2O2/c1-2-3-4-5-10-6-8-13(9-7-10)11(16)15-12(14)17-13/h10H,2-9H2,1H3,(H2,14,15,16)
InChIKeyXZVNMYSPAUZLTI-UHFFFAOYSA-N
XLogP2.37
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-butyl-5-methyl-1,3-oxazol-4-one
CID 131091998
hexane;pentylcyclopropane
CID 159592467
2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one
CID 143468478
3,11-diheptyldispiro[5.1.58.16]tetradecane
CID 18633606
4-decylcyclohexan-1-one
CID 13479948
11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one
CID 18633703
8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one
CID 139533961
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
11-pentyl-3-propyldispiro[5.1.58.16]tetradecane
CID 18633801

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one (CID 118325627) is 2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one is CCCCCC1CCC2(CC1)OC(N)=NC2=O.
What is the InChIKey of 2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one?
The InChIKey is XZVNMYSPAUZLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-3-4-5-10-6-8-13(9-7-10)11(16)15-12(14)17-13/h10H,2-9H2,1H3,(H2,14,15,16).
What are the key properties of 2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one?
2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one has a molecular weight of 238.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-pentyl-1-oxa-3-azaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 118325627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).