1-(2-aminoethoxy)hex-5-en-2-one

C8H15NO2 — CID 116590866

IUPAC1-(2-aminoethoxy)hex-5-en-2-one
SMILESC=CCCC(=O)COCCN
InChIInChI=1S/C8H15NO2/c1-2-3-4-8(10)7-11-6-5-9/h2H,1,3-7,9H2
InChIKeyZCPZRDPLIRNLIM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.50
Rot. Bonds7

About 1-(2-aminoethoxy)hex-5-en-2-one

1-(2-aminoethoxy)hex-5-en-2-one (PubChem CID 116590866) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(2-aminoethoxy)hex-5-en-2-one.

Molecular Properties

Compound Name1-(2-aminoethoxy)hex-5-en-2-one
PubChem CID116590866
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(2-aminoethoxy)hex-5-en-2-one
SMILESC=CCCC(=O)COCCN
InChIInChI=1S/C8H15NO2/c1-2-3-4-8(10)7-11-6-5-9/h2H,1,3-7,9H2
InChIKeyZCPZRDPLIRNLIM-UHFFFAOYSA-N
XLogP0.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)hex-5-en-2-one?
The IUPAC name of 1-(2-aminoethoxy)hex-5-en-2-one (CID 116590866) is 1-(2-aminoethoxy)hex-5-en-2-one.
What is the SMILES notation for 1-(2-aminoethoxy)hex-5-en-2-one?
The canonical SMILES for 1-(2-aminoethoxy)hex-5-en-2-one is C=CCCC(=O)COCCN.
What is the InChIKey of 1-(2-aminoethoxy)hex-5-en-2-one?
The InChIKey is ZCPZRDPLIRNLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-4-8(10)7-11-6-5-9/h2H,1,3-7,9H2.
What are the key properties of 1-(2-aminoethoxy)hex-5-en-2-one?
1-(2-aminoethoxy)hex-5-en-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)hex-5-en-2-one is sourced from PubChem (CID 116590866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).