1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one

C10H19NO3 — CID 123317323

IUPAC1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one
SMILESC=CC(=O)COCCOCCNCC
InChIInChI=1S/C10H19NO3/c1-3-10(12)9-14-8-7-13-6-5-11-4-2/h3,11H,1,4-9H2,2H3
InChIKeyJLRGZBVXPCMEFT-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.38
Rot. Bonds10

About 1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one

1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one (PubChem CID 123317323) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one.

Molecular Properties

Compound Name1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one
PubChem CID123317323
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one
SMILESC=CC(=O)COCCOCCNCC
InChIInChI=1S/C10H19NO3/c1-3-10(12)9-14-8-7-13-6-5-11-4-2/h3,11H,1,4-9H2,2H3
InChIKeyJLRGZBVXPCMEFT-UHFFFAOYSA-N
XLogP0.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one?
The IUPAC name of 1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one (CID 123317323) is 1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one.
What is the SMILES notation for 1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one?
The canonical SMILES for 1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one is C=CC(=O)COCCOCCNCC.
What is the InChIKey of 1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one?
The InChIKey is JLRGZBVXPCMEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-10(12)9-14-8-7-13-6-5-11-4-2/h3,11H,1,4-9H2,2H3.
What are the key properties of 1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one?
1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one has a molecular weight of 201.27 g/mol, XLogP of 0.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(ethylamino)ethoxy]ethoxy]but-3-en-2-one is sourced from PubChem (CID 123317323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).