3,5-dimethyl-2-methylidenehex-5-enamide

C9H15NO — CID 22641188

IUPAC3,5-dimethyl-2-methylidenehex-5-enamide
SMILESC=C(C)CC(C)C(=C)C(N)=O
InChIInChI=1S/C9H15NO/c1-6(2)5-7(3)8(4)9(10)11/h7H,1,4-5H2,2-3H3,(H2,10,11)
InChIKeyYHRRYMYCPLPOFP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.63
Rot. Bonds4

About 3,5-dimethyl-2-methylidenehex-5-enamide

3,5-dimethyl-2-methylidenehex-5-enamide (PubChem CID 22641188) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3,5-dimethyl-2-methylidenehex-5-enamide.

Molecular Properties

Compound Name3,5-dimethyl-2-methylidenehex-5-enamide
PubChem CID22641188
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3,5-dimethyl-2-methylidenehex-5-enamide
SMILESC=C(C)CC(C)C(=C)C(N)=O
InChIInChI=1S/C9H15NO/c1-6(2)5-7(3)8(4)9(10)11/h7H,1,4-5H2,2-3H3,(H2,10,11)
InChIKeyYHRRYMYCPLPOFP-UHFFFAOYSA-N
XLogP1.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-methylidenehex-5-enamide?
The IUPAC name of 3,5-dimethyl-2-methylidenehex-5-enamide (CID 22641188) is 3,5-dimethyl-2-methylidenehex-5-enamide.
What is the SMILES notation for 3,5-dimethyl-2-methylidenehex-5-enamide?
The canonical SMILES for 3,5-dimethyl-2-methylidenehex-5-enamide is C=C(C)CC(C)C(=C)C(N)=O.
What is the InChIKey of 3,5-dimethyl-2-methylidenehex-5-enamide?
The InChIKey is YHRRYMYCPLPOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)5-7(3)8(4)9(10)11/h7H,1,4-5H2,2-3H3,(H2,10,11).
What are the key properties of 3,5-dimethyl-2-methylidenehex-5-enamide?
3,5-dimethyl-2-methylidenehex-5-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-methylidenehex-5-enamide is sourced from PubChem (CID 22641188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).