2-(but-2-enoylamino)-4-methylpentanamide

C10H18N2O2 — CID 91064066

IUPAC2-(but-2-enoylamino)-4-methylpentanamide
SMILESCC=CC(=O)NC(CC(C)C)C(N)=O
InChIInChI=1S/C10H18N2O2/c1-4-5-9(13)12-8(10(11)14)6-7(2)3/h4-5,7-8H,6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyYLABOUAEGLXPGO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.58
Rot. Bonds5

About 2-(but-2-enoylamino)-4-methylpentanamide

2-(but-2-enoylamino)-4-methylpentanamide (PubChem CID 91064066) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(but-2-enoylamino)-4-methylpentanamide.

Molecular Properties

Compound Name2-(but-2-enoylamino)-4-methylpentanamide
PubChem CID91064066
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(but-2-enoylamino)-4-methylpentanamide
SMILESCC=CC(=O)NC(CC(C)C)C(N)=O
InChIInChI=1S/C10H18N2O2/c1-4-5-9(13)12-8(10(11)14)6-7(2)3/h4-5,7-8H,6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyYLABOUAEGLXPGO-UHFFFAOYSA-N
XLogP0.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(but-2-enoylamino)-4-methylpentanamide?
The IUPAC name of 2-(but-2-enoylamino)-4-methylpentanamide (CID 91064066) is 2-(but-2-enoylamino)-4-methylpentanamide.
What is the SMILES notation for 2-(but-2-enoylamino)-4-methylpentanamide?
The canonical SMILES for 2-(but-2-enoylamino)-4-methylpentanamide is CC=CC(=O)NC(CC(C)C)C(N)=O.
What is the InChIKey of 2-(but-2-enoylamino)-4-methylpentanamide?
The InChIKey is YLABOUAEGLXPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-9(13)12-8(10(11)14)6-7(2)3/h4-5,7-8H,6H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of 2-(but-2-enoylamino)-4-methylpentanamide?
2-(but-2-enoylamino)-4-methylpentanamide has a molecular weight of 198.27 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-2-enoylamino)-4-methylpentanamide is sourced from PubChem (CID 91064066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).