[(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate

C8H15NO2 — CID 163669019

IUPAC[(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate
SMILESCC(C)C(=O)O/C=C/N(C)C
InChIInChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h5-7H,1-4H3/b6-5+
InChIKeyJAXHACXUNXKWRW-AATRIKPKSA-N
MW157.21 g/mol
LogP1.22
Rot. Bonds3

About [(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate

[(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate (PubChem CID 163669019) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate
PubChem CID163669019
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate
SMILESCC(C)C(=O)O/C=C/N(C)C
InChIInChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h5-7H,1-4H3/b6-5+
InChIKeyJAXHACXUNXKWRW-AATRIKPKSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(1E,3E)-hepta-1,3-dienyl] 2-methylpropanoate
CID 134205666
methyl (Z)-4-(2-methylpropanoyloxy)but-3-enoate
CID 139593684
dimethylamino 2-methylpropanoate;hydrochloride
CID 90220610
1,7-bis(dimethylamino)hepta-1,6-diene-3,4,5-trione
CID 57279560
(Z)-1-(dimethylamino)-5-methylhex-1-en-3-one
CID 131248590
2-[formyl(methyl)amino]ethyl 2-methylpropanoate
CID 89217664
[4,4,4-trifluoro-3-oxo-2-(2,2,2-trifluoroacetyl)but-1-enyl] 2-methylpropanoate
CID 150888506
CID 173197860
CID 173197860
methyl 2-methylpropanoate;titanium
CID 174633551
[1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate
CID 153181636
methyl (3Z)-3-(dimethylaminomethylidene)-5-methyl-2,4-dioxohexanoate
CID 168980029
(E)-1-(dimethylamino)-4-methylhex-1-en-3-one
CID 130511571

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate?
The IUPAC name of [(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate (CID 163669019) is [(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate.
What is the SMILES notation for [(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate?
The canonical SMILES for [(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate is CC(C)C(=O)O/C=C/N(C)C.
What is the InChIKey of [(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate?
The InChIKey is JAXHACXUNXKWRW-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h5-7H,1-4H3/b6-5+.
What are the key properties of [(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate?
[(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate has a molecular weight of 157.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate is sourced from PubChem (CID 163669019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).