4,4-dimethyl-2-methylidenepentanamide

C8H15NO — CID 22760841

IUPAC4,4-dimethyl-2-methylidenepentanamide
SMILESC=C(CC(C)(C)C)C(N)=O
InChIInChI=1S/C8H15NO/c1-6(7(9)10)5-8(2,3)4/h1,5H2,2-4H3,(H2,9,10)
InChIKeyBHFZJOPICZWSGU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.46
Rot. Bonds2

About 4,4-dimethyl-2-methylidenepentanamide

4,4-dimethyl-2-methylidenepentanamide (PubChem CID 22760841) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4,4-dimethyl-2-methylidenepentanamide.

Molecular Properties

Compound Name4,4-dimethyl-2-methylidenepentanamide
PubChem CID22760841
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4,4-dimethyl-2-methylidenepentanamide
SMILESC=C(CC(C)(C)C)C(N)=O
InChIInChI=1S/C8H15NO/c1-6(7(9)10)5-8(2,3)4/h1,5H2,2-4H3,(H2,9,10)
InChIKeyBHFZJOPICZWSGU-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-methylidenepentanamide?
The IUPAC name of 4,4-dimethyl-2-methylidenepentanamide (CID 22760841) is 4,4-dimethyl-2-methylidenepentanamide.
What is the SMILES notation for 4,4-dimethyl-2-methylidenepentanamide?
The canonical SMILES for 4,4-dimethyl-2-methylidenepentanamide is C=C(CC(C)(C)C)C(N)=O.
What is the InChIKey of 4,4-dimethyl-2-methylidenepentanamide?
The InChIKey is BHFZJOPICZWSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(7(9)10)5-8(2,3)4/h1,5H2,2-4H3,(H2,9,10).
What are the key properties of 4,4-dimethyl-2-methylidenepentanamide?
4,4-dimethyl-2-methylidenepentanamide has a molecular weight of 141.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-methylidenepentanamide is sourced from PubChem (CID 22760841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).