(E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide

C9H16N2O2 — CID 167486949

IUPAC(E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)N(C)CC=O
InChIInChI=1S/C9H16N2O2/c1-10(2)6-4-5-9(13)11(3)7-8-12/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKeyQSLONADKYIOTIU-SNAWJCMRSA-N
MW184.24 g/mol
LogP-0.24
Rot. Bonds5

About (E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide

(E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide (PubChem CID 167486949) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide
PubChem CID167486949
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)N(C)CC=O
InChIInChI=1S/C9H16N2O2/c1-10(2)6-4-5-9(13)11(3)7-8-12/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKeyQSLONADKYIOTIU-SNAWJCMRSA-N
XLogP-0.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-methyl-N-(2-oxoethyl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide (CID 167486949) is (E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide is CN(C)C/C=C/C(=O)N(C)CC=O.
What is the InChIKey of (E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide?
The InChIKey is QSLONADKYIOTIU-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10(2)6-4-5-9(13)11(3)7-8-12/h4-5,8H,6-7H2,1-3H3/b5-4+.
What are the key properties of (E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide?
(E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-methyl-N-(2-oxoethyl)but-2-enamide is sourced from PubChem (CID 167486949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).