4-methyl-N,2,3-trimethylidenepent-4-enamide

C9H11NO — CID 175075357

IUPAC4-methyl-N,2,3-trimethylidenepent-4-enamide
SMILESC=NC(=O)C(=C)C(=C)C(=C)C
InChIInChI=1S/C9H11NO/c1-6(2)7(3)8(4)9(11)10-5/h1,3-5H2,2H3
InChIKeyVKTHJHPDSDUTCJ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.90
Rot. Bonds3

About 4-methyl-N,2,3-trimethylidenepent-4-enamide

4-methyl-N,2,3-trimethylidenepent-4-enamide (PubChem CID 175075357) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-methyl-N,2,3-trimethylidenepent-4-enamide.

Molecular Properties

Compound Name4-methyl-N,2,3-trimethylidenepent-4-enamide
PubChem CID175075357
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-methyl-N,2,3-trimethylidenepent-4-enamide
SMILESC=NC(=O)C(=C)C(=C)C(=C)C
InChIInChI=1S/C9H11NO/c1-6(2)7(3)8(4)9(11)10-5/h1,3-5H2,2H3
InChIKeyVKTHJHPDSDUTCJ-UHFFFAOYSA-N
XLogP1.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-N,2,3-trimethylidenepent-4-enamide?
The IUPAC name of 4-methyl-N,2,3-trimethylidenepent-4-enamide (CID 175075357) is 4-methyl-N,2,3-trimethylidenepent-4-enamide.
What is the SMILES notation for 4-methyl-N,2,3-trimethylidenepent-4-enamide?
The canonical SMILES for 4-methyl-N,2,3-trimethylidenepent-4-enamide is C=NC(=O)C(=C)C(=C)C(=C)C.
What is the InChIKey of 4-methyl-N,2,3-trimethylidenepent-4-enamide?
The InChIKey is VKTHJHPDSDUTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6(2)7(3)8(4)9(11)10-5/h1,3-5H2,2H3.
What are the key properties of 4-methyl-N,2,3-trimethylidenepent-4-enamide?
4-methyl-N,2,3-trimethylidenepent-4-enamide has a molecular weight of 149.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,2,3-trimethylidenepent-4-enamide is sourced from PubChem (CID 175075357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).