4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide

C10H17NO3 — CID 86085209

IUPAC4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide
SMILESC=CC(C)OCC(=O)CC(=O)N(C)C
InChIInChI=1S/C10H17NO3/c1-5-8(2)14-7-9(12)6-10(13)11(3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyRYNKXUGTFPZSFB-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.62
Rot. Bonds6

About 4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide

4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide (PubChem CID 86085209) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide.

Molecular Properties

Compound Name4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide
PubChem CID86085209
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide
SMILESC=CC(C)OCC(=O)CC(=O)N(C)C
InChIInChI=1S/C10H17NO3/c1-5-8(2)14-7-9(12)6-10(13)11(3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyRYNKXUGTFPZSFB-UHFFFAOYSA-N
XLogP0.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N,3-trimethylpent-4-enamide
CID 10654310
methyl 4-but-3-en-2-yloxy-3-methylbutanoate
CID 89035754
N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide
CID 134420255
but-3-en-2-yl ethyl carbonate
CID 11137281
N,N-dimethyl-2-(2-propan-2-yloxyethoxy)acetamide
CID 172604090
N,N-dimethyl-3-oxoheptanamide
CID 86682301
(2R,3R)-2,3-bis[2-(dimethylamino)-2-oxoethoxy]-N,N,N',N'-tetramethylbutanediamide
CID 12695224
1-(dimethylamino)-3-propan-2-yloxypropan-2-one
CID 79567997
[(2R)-but-3-en-2-yl] acetate
CID 11378468
2-[(2S)-4-fluorobut-3-en-2-yl]oxy-N-methoxy-N-methylacetamide
CID 88757548
2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide
CID 173435394
1-ethoxyprop-2-enyl(ethyl)carbamic acid
CID 87887808

Frequently Asked Questions

What is the IUPAC name of 4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide?
The IUPAC name of 4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide (CID 86085209) is 4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide.
What is the SMILES notation for 4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide?
The canonical SMILES for 4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide is C=CC(C)OCC(=O)CC(=O)N(C)C.
What is the InChIKey of 4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide?
The InChIKey is RYNKXUGTFPZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-8(2)14-7-9(12)6-10(13)11(3)4/h5,8H,1,6-7H2,2-4H3.
What are the key properties of 4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide?
4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide has a molecular weight of 199.25 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide is sourced from PubChem (CID 86085209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).