2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide

C11H19NO2 — CID 58298957

IUPAC2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide
SMILESC=C(C)C(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)10(13)6-5-7-12-11(14)9(3)4/h9H,1,5-7H2,2-4H3,(H,12,14)
InChIKeyRZZKTBINNXRQPZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.68
Rot. Bonds6

About 2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide

2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide (PubChem CID 58298957) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide
PubChem CID58298957
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide
SMILESC=C(C)C(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)10(13)6-5-7-12-11(14)9(3)4/h9H,1,5-7H2,2-4H3,(H,12,14)
InChIKeyRZZKTBINNXRQPZ-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide?
The IUPAC name of 2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide (CID 58298957) is 2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide is C=C(C)C(=O)CCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide?
The InChIKey is RZZKTBINNXRQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)10(13)6-5-7-12-11(14)9(3)4/h9H,1,5-7H2,2-4H3,(H,12,14).
What are the key properties of 2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide?
2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide has a molecular weight of 197.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide is sourced from PubChem (CID 58298957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).