(E)-4-(dimethylamino)-N-methylbut-2-enamide

C7H14N2O — CID 20813441

IUPAC(E)-4-(dimethylamino)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN(C)C
InChIInChI=1S/C7H14N2O/c1-8-7(10)5-4-6-9(2)3/h4-5H,6H2,1-3H3,(H,8,10)/b5-4+
InChIKeyBPVJSKXIWKALTH-SNAWJCMRSA-N
MW142.20 g/mol
LogP-0.15
Rot. Bonds3

About (E)-4-(dimethylamino)-N-methylbut-2-enamide

(E)-4-(dimethylamino)-N-methylbut-2-enamide (PubChem CID 20813441) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-methylbut-2-enamide
PubChem CID20813441
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(E)-4-(dimethylamino)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN(C)C
InChIInChI=1S/C7H14N2O/c1-8-7(10)5-4-6-9(2)3/h4-5H,6H2,1-3H3,(H,8,10)/b5-4+
InChIKeyBPVJSKXIWKALTH-SNAWJCMRSA-N
XLogP-0.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.15
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)-4-(dimethylamino)-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-methylbut-2-enamide (CID 20813441) is (E)-4-(dimethylamino)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-methylbut-2-enamide is CNC(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-methylbut-2-enamide?
The InChIKey is BPVJSKXIWKALTH-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14N2O/c1-8-7(10)5-4-6-9(2)3/h4-5H,6H2,1-3H3,(H,8,10)/b5-4+.
What are the key properties of (E)-4-(dimethylamino)-N-methylbut-2-enamide?
(E)-4-(dimethylamino)-N-methylbut-2-enamide has a molecular weight of 142.20 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-methylbut-2-enamide is sourced from PubChem (CID 20813441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).