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

C6H12N2O — CID 58661429

IUPACN-methyl-2-(methylamino)but-3-enamide
SMILESC=CC(NC)C(=O)NC
InChIInChI=1S/C6H12N2O/c1-4-5(7-2)6(9)8-3/h4-5,7H,1H2,2-3H3,(H,8,9)
InChIKeyQKDPGVVWPKBSAH-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.49
Rot. Bonds3

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

N-methyl-2-(methylamino)but-3-enamide (PubChem CID 58661429) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-methyl-2-(methylamino)but-3-enamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)but-3-enamide
PubChem CID58661429
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-methyl-2-(methylamino)but-3-enamide
SMILESC=CC(NC)C(=O)NC
InChIInChI=1S/C6H12N2O/c1-4-5(7-2)6(9)8-3/h4-5,7H,1H2,2-3H3,(H,8,9)
InChIKeyQKDPGVVWPKBSAH-UHFFFAOYSA-N
XLogP-0.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)but-3-enamide?
The IUPAC name of N-methyl-2-(methylamino)but-3-enamide (CID 58661429) is N-methyl-2-(methylamino)but-3-enamide.
What is the SMILES notation for N-methyl-2-(methylamino)but-3-enamide?
The canonical SMILES for N-methyl-2-(methylamino)but-3-enamide is C=CC(NC)C(=O)NC.
What is the InChIKey of N-methyl-2-(methylamino)but-3-enamide?
The InChIKey is QKDPGVVWPKBSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5(7-2)6(9)8-3/h4-5,7H,1H2,2-3H3,(H,8,9).
What are the key properties of N-methyl-2-(methylamino)but-3-enamide?
N-methyl-2-(methylamino)but-3-enamide has a molecular weight of 128.17 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)but-3-enamide is sourced from PubChem (CID 58661429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).