N-methyl-3-(methylamino)but-2-enamide

C6H12N2O — CID 3020582

IUPACN-methyl-3-(methylamino)but-2-enamide
SMILESCNC(=O)C=C(C)NC
InChIInChI=1S/C6H12N2O/c1-5(7-2)4-6(9)8-3/h4,7H,1-3H3,(H,8,9)
InChIKeyQDEUCPLXUDTYOV-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.14
Rot. Bonds2

About N-methyl-3-(methylamino)but-2-enamide

N-methyl-3-(methylamino)but-2-enamide (PubChem CID 3020582) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-methyl-3-(methylamino)but-2-enamide.

Molecular Properties

Compound NameN-methyl-3-(methylamino)but-2-enamide
PubChem CID3020582
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-methyl-3-(methylamino)but-2-enamide
SMILESCNC(=O)C=C(C)NC
InChIInChI=1S/C6H12N2O/c1-5(7-2)4-6(9)8-3/h4,7H,1-3H3,(H,8,9)
InChIKeyQDEUCPLXUDTYOV-UHFFFAOYSA-N
XLogP-0.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
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 N-methyl-3-(methylamino)but-2-enamide?
The IUPAC name of N-methyl-3-(methylamino)but-2-enamide (CID 3020582) is N-methyl-3-(methylamino)but-2-enamide.
What is the SMILES notation for N-methyl-3-(methylamino)but-2-enamide?
The canonical SMILES for N-methyl-3-(methylamino)but-2-enamide is CNC(=O)C=C(C)NC.
What is the InChIKey of N-methyl-3-(methylamino)but-2-enamide?
The InChIKey is QDEUCPLXUDTYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(7-2)4-6(9)8-3/h4,7H,1-3H3,(H,8,9).
What are the key properties of N-methyl-3-(methylamino)but-2-enamide?
N-methyl-3-(methylamino)but-2-enamide has a molecular weight of 128.17 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylamino)but-2-enamide is sourced from PubChem (CID 3020582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).