4-(ethoxyamino)butan-2-one

C6H13NO2 — CID 130978764

IUPAC4-(ethoxyamino)butan-2-one
SMILESCCONCCC(C)=O
InChIInChI=1S/C6H13NO2/c1-3-9-7-5-4-6(2)8/h7H,3-5H2,1-2H3
InChIKeyXVFXZOANFOKIJR-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.51
Rot. Bonds5

About 4-(ethoxyamino)butan-2-one

4-(ethoxyamino)butan-2-one (PubChem CID 130978764) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-(ethoxyamino)butan-2-one.

Molecular Properties

Compound Name4-(ethoxyamino)butan-2-one
PubChem CID130978764
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name4-(ethoxyamino)butan-2-one
SMILESCCONCCC(C)=O
InChIInChI=1S/C6H13NO2/c1-3-9-7-5-4-6(2)8/h7H,3-5H2,1-2H3
InChIKeyXVFXZOANFOKIJR-UHFFFAOYSA-N
XLogP0.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropoxymethoxyamino)butan-2-one
CID 155042337
4-(ethoxyamino)-N,N-dimethylbutanamide
CID 64974940
N-[2-(ethoxyamino)ethyl]octadecanamide
CID 170842525
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate
CID 112673841
hexane-2,5-dione
CID 8035
ethoxyethane;5-hydroxypentan-2-one
CID 22325863
2-bromo-N-(3-oxobutyl)acetamide
CID 58311881
4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one
CID 137458388
(Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid
CID 103254484
1-(3-butoxypropyl)-3-(3-oxobutyl)urea
CID 108894998

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxyamino)butan-2-one?
The IUPAC name of 4-(ethoxyamino)butan-2-one (CID 130978764) is 4-(ethoxyamino)butan-2-one.
What is the SMILES notation for 4-(ethoxyamino)butan-2-one?
The canonical SMILES for 4-(ethoxyamino)butan-2-one is CCONCCC(C)=O.
What is the InChIKey of 4-(ethoxyamino)butan-2-one?
The InChIKey is XVFXZOANFOKIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-9-7-5-4-6(2)8/h7H,3-5H2,1-2H3.
What are the key properties of 4-(ethoxyamino)butan-2-one?
4-(ethoxyamino)butan-2-one has a molecular weight of 131.18 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxyamino)butan-2-one is sourced from PubChem (CID 130978764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).