2-methyl-N-(2-methylpropyl)but-2-enamide

C9H17NO — CID 76526197

IUPAC2-methyl-N-(2-methylpropyl)but-2-enamide
SMILESCC=C(C)C(=O)NCC(C)C
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10-6-7(2)3/h5,7H,6H2,1-4H3,(H,10,11)
InChIKeyRPFDZLFZNNCJEC-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-N-(2-methylpropyl)but-2-enamide

2-methyl-N-(2-methylpropyl)but-2-enamide (PubChem CID 76526197) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)but-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)but-2-enamide
PubChem CID76526197
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-N-(2-methylpropyl)but-2-enamide
SMILESCC=C(C)C(=O)NCC(C)C
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10-6-7(2)3/h5,7H,6H2,1-4H3,(H,10,11)
InChIKeyRPFDZLFZNNCJEC-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
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 2-methyl-N-(2-methylpropyl)but-2-enamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)but-2-enamide (CID 76526197) is 2-methyl-N-(2-methylpropyl)but-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)but-2-enamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)but-2-enamide is CC=C(C)C(=O)NCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)but-2-enamide?
The InChIKey is RPFDZLFZNNCJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(4)9(11)10-6-7(2)3/h5,7H,6H2,1-4H3,(H,10,11).
What are the key properties of 2-methyl-N-(2-methylpropyl)but-2-enamide?
2-methyl-N-(2-methylpropyl)but-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)but-2-enamide is sourced from PubChem (CID 76526197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).