(E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide

C7H13NO2 — CID 60747686

IUPAC(E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)CCO
InChIInChI=1S/C7H13NO2/c1-3-4-7(10)8(2)5-6-9/h3-4,9H,5-6H2,1-2H3/b4-3+
InChIKeyXUSCNIKMXDGQQQ-ONEGZZNKSA-N
MW143.19 g/mol
LogP0.01
Rot. Bonds3

About (E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide

(E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide (PubChem CID 60747686) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide
PubChem CID60747686
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)CCO
InChIInChI=1S/C7H13NO2/c1-3-4-7(10)8(2)5-6-9/h3-4,9H,5-6H2,1-2H3/b4-3+
InChIKeyXUSCNIKMXDGQQQ-ONEGZZNKSA-N
XLogP0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide (CID 60747686) is (E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide is C/C=C/C(=O)N(C)CCO.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide?
The InChIKey is XUSCNIKMXDGQQQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-7(10)8(2)5-6-9/h3-4,9H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide?
(E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-N-methylbut-2-enamide is sourced from PubChem (CID 60747686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).