4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide

C11H18N2O — CID 123780440

IUPAC4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide
SMILESC=C(C=C(C)C)C(=O)N/C=N/CCC
InChIInChI=1S/C11H18N2O/c1-5-6-12-8-13-11(14)10(4)7-9(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyHUUUMGXYLNNEOI-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.06
Rot. Bonds5

About 4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide

4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide (PubChem CID 123780440) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide.

Molecular Properties

Compound Name4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide
PubChem CID123780440
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide
SMILESC=C(C=C(C)C)C(=O)N/C=N/CCC
InChIInChI=1S/C11H18N2O/c1-5-6-12-8-13-11(14)10(4)7-9(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyHUUUMGXYLNNEOI-UHFFFAOYSA-N
XLogP2.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide?
The IUPAC name of 4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide (CID 123780440) is 4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide.
What is the SMILES notation for 4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide?
The canonical SMILES for 4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide is C=C(C=C(C)C)C(=O)N/C=N/CCC.
What is the InChIKey of 4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide?
The InChIKey is HUUUMGXYLNNEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-6-12-8-13-11(14)10(4)7-9(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide?
4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide has a molecular weight of 194.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-N-(propyliminomethyl)pent-3-enamide is sourced from PubChem (CID 123780440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).