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

C10H19NO3 — CID 177135862

IUPAC3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one
SMILESC=C(C)C(=O)COCCOCCNC
InChIInChI=1S/C10H19NO3/c1-9(2)10(12)8-14-7-6-13-5-4-11-3/h11H,1,4-8H2,2-3H3
InChIKeyVPPSWYKOCTYUEB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.38
Rot. Bonds9

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

3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one (PubChem CID 177135862) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one
PubChem CID177135862
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one
SMILESC=C(C)C(=O)COCCOCCNC
InChIInChI=1S/C10H19NO3/c1-9(2)10(12)8-14-7-6-13-5-4-11-3/h11H,1,4-8H2,2-3H3
InChIKeyVPPSWYKOCTYUEB-UHFFFAOYSA-N
XLogP0.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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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Related Compounds

1-[2-[2-(Ethylamino)ethoxy]ethoxy]but-3-en-2-one
CID 123317323
1-[2-[2-(Butan-2-ylamino)ethoxy]ethoxy]-3-methylpent-3-en-2-one
CID 123796766
1-[2-(Dimethylamino)ethoxy]-3-methylbut-3-en-2-one
CID 132024365
2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide
CID 142338820
1-[2-(2-Aminoethoxy)ethoxy]-3-methylbut-3-en-2-one;ethane;molecular hydrogen
CID 168904034
2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 176553832
2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide
CID 177015184
1-(2-Aminoethoxy)-3-methylbut-3-en-2-one
CID 116590912
Trimethyl-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]azanium
CID 149732076
1-[2-(2-Aminoethoxy)ethoxy]-3-methylbut-3-en-2-one
CID 168904035

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one?
The IUPAC name of 3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one (CID 177135862) is 3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one.
What is the SMILES notation for 3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one?
The canonical SMILES for 3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one is C=C(C)C(=O)COCCOCCNC.
What is the InChIKey of 3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one?
The InChIKey is VPPSWYKOCTYUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2)10(12)8-14-7-6-13-5-4-11-3/h11H,1,4-8H2,2-3H3.
What are the key properties of 3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one?
3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one has a molecular weight of 201.27 g/mol, XLogP of 0.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]but-3-en-2-one is sourced from PubChem (CID 177135862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).