5-methyl-N,2,3,4-tetramethylidenehex-5-enamide

C11H13NO — CID 175084526

IUPAC5-methyl-N,2,3,4-tetramethylidenehex-5-enamide
SMILESC=NC(=O)C(=C)C(=C)C(=C)C(=C)C
InChIInChI=1S/C11H13NO/c1-7(2)8(3)9(4)10(5)11(13)12-6/h1,3-6H2,2H3
InChIKeyWGMHLNWOJVEQDQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.46
Rot. Bonds4

About 5-methyl-N,2,3,4-tetramethylidenehex-5-enamide

5-methyl-N,2,3,4-tetramethylidenehex-5-enamide (PubChem CID 175084526) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-methyl-N,2,3,4-tetramethylidenehex-5-enamide.

Molecular Properties

Compound Name5-methyl-N,2,3,4-tetramethylidenehex-5-enamide
PubChem CID175084526
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-methyl-N,2,3,4-tetramethylidenehex-5-enamide
SMILESC=NC(=O)C(=C)C(=C)C(=C)C(=C)C
InChIInChI=1S/C11H13NO/c1-7(2)8(3)9(4)10(5)11(13)12-6/h1,3-6H2,2H3
InChIKeyWGMHLNWOJVEQDQ-UHFFFAOYSA-N
XLogP2.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.46
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 5-methyl-N,2,3,4-tetramethylidenehex-5-enamide?
The IUPAC name of 5-methyl-N,2,3,4-tetramethylidenehex-5-enamide (CID 175084526) is 5-methyl-N,2,3,4-tetramethylidenehex-5-enamide.
What is the SMILES notation for 5-methyl-N,2,3,4-tetramethylidenehex-5-enamide?
The canonical SMILES for 5-methyl-N,2,3,4-tetramethylidenehex-5-enamide is C=NC(=O)C(=C)C(=C)C(=C)C(=C)C.
What is the InChIKey of 5-methyl-N,2,3,4-tetramethylidenehex-5-enamide?
The InChIKey is WGMHLNWOJVEQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7(2)8(3)9(4)10(5)11(13)12-6/h1,3-6H2,2H3.
What are the key properties of 5-methyl-N,2,3,4-tetramethylidenehex-5-enamide?
5-methyl-N,2,3,4-tetramethylidenehex-5-enamide has a molecular weight of 175.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,2,3,4-tetramethylidenehex-5-enamide is sourced from PubChem (CID 175084526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).