dimethylamino (E)-2-ethylbut-2-enoate

C8H15NO2 — CID 158766870

IUPACdimethylamino (E)-2-ethylbut-2-enoate
SMILESC/C=C(\CC)C(=O)ON(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(6-2)8(10)11-9(3)4/h5H,6H2,1-4H3/b7-5+
InChIKeyIPJGVXAKMCIERP-FNORWQNLSA-N
MW157.21 g/mol
LogP1.36
Rot. Bonds3

About dimethylamino (E)-2-ethylbut-2-enoate

dimethylamino (E)-2-ethylbut-2-enoate (PubChem CID 158766870) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is dimethylamino (E)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namedimethylamino (E)-2-ethylbut-2-enoate
PubChem CID158766870
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namedimethylamino (E)-2-ethylbut-2-enoate
SMILESC/C=C(\CC)C(=O)ON(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(6-2)8(10)11-9(3)4/h5H,6H2,1-4H3/b7-5+
InChIKeyIPJGVXAKMCIERP-FNORWQNLSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of dimethylamino (E)-2-ethylbut-2-enoate?
The IUPAC name of dimethylamino (E)-2-ethylbut-2-enoate (CID 158766870) is dimethylamino (E)-2-ethylbut-2-enoate.
What is the SMILES notation for dimethylamino (E)-2-ethylbut-2-enoate?
The canonical SMILES for dimethylamino (E)-2-ethylbut-2-enoate is C/C=C(\CC)C(=O)ON(C)C.
What is the InChIKey of dimethylamino (E)-2-ethylbut-2-enoate?
The InChIKey is IPJGVXAKMCIERP-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-7(6-2)8(10)11-9(3)4/h5H,6H2,1-4H3/b7-5+.
What are the key properties of dimethylamino (E)-2-ethylbut-2-enoate?
dimethylamino (E)-2-ethylbut-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino (E)-2-ethylbut-2-enoate is sourced from PubChem (CID 158766870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).