N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide

C7H12N2O2 — CID 19970966

IUPACN-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N(C)C
InChIInChI=1S/C7H12N2O2/c1-4-6(10)8-5-7(11)9(2)3/h4H,1,5H2,2-3H3,(H,8,10)
InChIKeySRSHYKAJRUMWOH-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.62
Rot. Bonds3

About N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide

N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide (PubChem CID 19970966) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
PubChem CID19970966
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N(C)C
InChIInChI=1S/C7H12N2O2/c1-4-6(10)8-5-7(11)9(2)3/h4H,1,5H2,2-3H3,(H,8,10)
InChIKeySRSHYKAJRUMWOH-UHFFFAOYSA-N
XLogP-0.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide (CID 19970966) is N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide?
The InChIKey is SRSHYKAJRUMWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-6(10)8-5-7(11)9(2)3/h4H,1,5H2,2-3H3,(H,8,10).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide?
N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide has a molecular weight of 156.19 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 19970966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).