3-amino-1-ethoxyhex-5-en-2-one

C8H15NO2 — CID 116606832

IUPAC3-amino-1-ethoxyhex-5-en-2-one
SMILESC=CCC(N)C(=O)COCC
InChIInChI=1S/C8H15NO2/c1-3-5-7(9)8(10)6-11-4-2/h3,7H,1,4-6,9H2,2H3
InChIKeyOMQYVQWXWKFWGG-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.50
Rot. Bonds6

About 3-amino-1-ethoxyhex-5-en-2-one

3-amino-1-ethoxyhex-5-en-2-one (PubChem CID 116606832) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-amino-1-ethoxyhex-5-en-2-one.

Molecular Properties

Compound Name3-amino-1-ethoxyhex-5-en-2-one
PubChem CID116606832
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-amino-1-ethoxyhex-5-en-2-one
SMILESC=CCC(N)C(=O)COCC
InChIInChI=1S/C8H15NO2/c1-3-5-7(9)8(10)6-11-4-2/h3,7H,1,4-6,9H2,2H3
InChIKeyOMQYVQWXWKFWGG-UHFFFAOYSA-N
XLogP0.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Amino-6-ethoxyhex-1-en-3-one
CID 155067612
5-Amino-7-methoxyhept-1-en-4-one
CID 116567168
1-(2-Aminoethoxy)hex-5-en-2-one
CID 116590866
3-Amino-1-propan-2-yloxyhex-5-en-2-one
CID 116606877
3-Amino-1-methoxyhex-5-en-2-one
CID 116606882
3-Amino-1-propoxyhex-5-en-2-one
CID 116606997

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethoxyhex-5-en-2-one?
The IUPAC name of 3-amino-1-ethoxyhex-5-en-2-one (CID 116606832) is 3-amino-1-ethoxyhex-5-en-2-one.
What is the SMILES notation for 3-amino-1-ethoxyhex-5-en-2-one?
The canonical SMILES for 3-amino-1-ethoxyhex-5-en-2-one is C=CCC(N)C(=O)COCC.
What is the InChIKey of 3-amino-1-ethoxyhex-5-en-2-one?
The InChIKey is OMQYVQWXWKFWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-7(9)8(10)6-11-4-2/h3,7H,1,4-6,9H2,2H3.
What are the key properties of 3-amino-1-ethoxyhex-5-en-2-one?
3-amino-1-ethoxyhex-5-en-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethoxyhex-5-en-2-one is sourced from PubChem (CID 116606832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).