dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate

C13H23NO4 — CID 173160381

IUPACdimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.CCC=C(C)C(=O)ON(C)C
InChIInChI=1S/C8H15NO2.C5H8O2/c1-5-6-7(2)8(10)11-9(3)4;1-3-5(6)7-4-2/h6H,5H2,1-4H3;3H,1,4H2,2H3
InChIKeyQMOSVSRKSGUKDC-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.10
Rot. Bonds5

About dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate

dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate (PubChem CID 173160381) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate.

Molecular Properties

Compound Namedimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate
PubChem CID173160381
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namedimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.CCC=C(C)C(=O)ON(C)C
InChIInChI=1S/C8H15NO2.C5H8O2/c1-5-6-7(2)8(10)11-9(3)4;1-3-5(6)7-4-2/h6H,5H2,1-4H3;3H,1,4H2,2H3
InChIKeyQMOSVSRKSGUKDC-UHFFFAOYSA-N
XLogP2.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
ethyl (E)-2-methylpent-2-enoate
CID 6436311
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
[ethyl(methyl)amino] 2-methylpent-2-enoate
CID 174359164
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
ethene;ethyl prop-2-enoate;urea
CID 22098038
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
ethyl (E)-4-(dimethylamino)-2-methylbut-2-enoate;formaldehyde;propane
CID 143023686
dimethylamino prop-2-enoate
CID 20697927

Frequently Asked Questions

What is the IUPAC name of dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate?
The IUPAC name of dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate (CID 173160381) is dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate.
What is the SMILES notation for dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate?
The canonical SMILES for dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate is C=CC(=O)OCC.CCC=C(C)C(=O)ON(C)C.
What is the InChIKey of dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate?
The InChIKey is QMOSVSRKSGUKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C5H8O2/c1-5-6-7(2)8(10)11-9(3)4;1-3-5(6)7-4-2/h6H,5H2,1-4H3;3H,1,4H2,2H3.
What are the key properties of dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate?
dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate has a molecular weight of 257.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate is sourced from PubChem (CID 173160381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).