3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide

C8H12N2O2 — CID 162682989

IUPAC3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide
SMILESC=C=C(CC(=O)NC)N(C)C=O
InChIInChI=1S/C8H12N2O2/c1-4-7(10(3)6-11)5-8(12)9-2/h6H,1,5H2,2-3H3,(H,9,12)
InChIKeyLCGBKQYACVPANE-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.12
Rot. Bonds4

About 3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide

3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide (PubChem CID 162682989) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide.

Molecular Properties

Compound Name3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide
PubChem CID162682989
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide
SMILESC=C=C(CC(=O)NC)N(C)C=O
InChIInChI=1S/C8H12N2O2/c1-4-7(10(3)6-11)5-8(12)9-2/h6H,1,5H2,2-3H3,(H,9,12)
InChIKeyLCGBKQYACVPANE-UHFFFAOYSA-N
XLogP-0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide with MolForge

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

Launch Full Analysis

Related Compounds

N-acetyl-N-methyl-3-(methylamino)but-3-enamide
CID 163452035

Frequently Asked Questions

What is the IUPAC name of 3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide?
The IUPAC name of 3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide (CID 162682989) is 3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide.
What is the SMILES notation for 3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide?
The canonical SMILES for 3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide is C=C=C(CC(=O)NC)N(C)C=O.
What is the InChIKey of 3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide?
The InChIKey is LCGBKQYACVPANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-7(10(3)6-11)5-8(12)9-2/h6H,1,5H2,2-3H3,(H,9,12).
What are the key properties of 3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide?
3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide has a molecular weight of 168.20 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide is sourced from PubChem (CID 162682989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).