2-methyl-N-(3-methylbut-3-enyl)propanamide

C9H17NO — CID 59532958

IUPAC2-methyl-N-(3-methylbut-3-enyl)propanamide
SMILESC=C(C)CCNC(=O)C(C)C
InChIInChI=1S/C9H17NO/c1-7(2)5-6-10-9(11)8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11)
InChIKeyGLNLEKBBYXWKGB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds4

About 2-methyl-N-(3-methylbut-3-enyl)propanamide

2-methyl-N-(3-methylbut-3-enyl)propanamide (PubChem CID 59532958) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbut-3-enyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbut-3-enyl)propanamide
PubChem CID59532958
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-N-(3-methylbut-3-enyl)propanamide
SMILESC=C(C)CCNC(=O)C(C)C
InChIInChI=1S/C9H17NO/c1-7(2)5-6-10-9(11)8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11)
InChIKeyGLNLEKBBYXWKGB-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
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N-(3-methylbut-3-enyl)propanamide
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ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
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2-methyl-N-(2-sulfanylethyl)propanamide
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2-(3-methylbut-3-enylamino)propanamide
CID 114472047
N-but-3-enyl-2-methylpropanamide
CID 3434507
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
2-cyano-N-(3-methylbut-3-enyl)acetamide
CID 131228033
2-methyl-N-[3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propyl]propanamide;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbut-3-enyl)propanamide?
The IUPAC name of 2-methyl-N-(3-methylbut-3-enyl)propanamide (CID 59532958) is 2-methyl-N-(3-methylbut-3-enyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-methylbut-3-enyl)propanamide?
The canonical SMILES for 2-methyl-N-(3-methylbut-3-enyl)propanamide is C=C(C)CCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbut-3-enyl)propanamide?
The InChIKey is GLNLEKBBYXWKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)5-6-10-9(11)8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11).
What are the key properties of 2-methyl-N-(3-methylbut-3-enyl)propanamide?
2-methyl-N-(3-methylbut-3-enyl)propanamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbut-3-enyl)propanamide is sourced from PubChem (CID 59532958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).