N-(2-methylprop-2-enoyl)butanamide

C8H13NO2 — CID 22320855

IUPACN-(2-methylprop-2-enoyl)butanamide
SMILESC=C(C)C(=O)NC(=O)CCC
InChIInChI=1S/C8H13NO2/c1-4-5-7(10)9-8(11)6(2)3/h2,4-5H2,1,3H3,(H,9,10,11)
InChIKeyGRKWKHMVNVMROH-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.01
Rot. Bonds3

About N-(2-methylprop-2-enoyl)butanamide

N-(2-methylprop-2-enoyl)butanamide (PubChem CID 22320855) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(2-methylprop-2-enoyl)butanamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enoyl)butanamide
PubChem CID22320855
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(2-methylprop-2-enoyl)butanamide
SMILESC=C(C)C(=O)NC(=O)CCC
InChIInChI=1S/C8H13NO2/c1-4-5-7(10)9-8(11)6(2)3/h2,4-5H2,1,3H3,(H,9,10,11)
InChIKeyGRKWKHMVNVMROH-UHFFFAOYSA-N
XLogP1.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
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 N-(2-methylprop-2-enoyl)butanamide?
The IUPAC name of N-(2-methylprop-2-enoyl)butanamide (CID 22320855) is N-(2-methylprop-2-enoyl)butanamide.
What is the SMILES notation for N-(2-methylprop-2-enoyl)butanamide?
The canonical SMILES for N-(2-methylprop-2-enoyl)butanamide is C=C(C)C(=O)NC(=O)CCC.
What is the InChIKey of N-(2-methylprop-2-enoyl)butanamide?
The InChIKey is GRKWKHMVNVMROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-5-7(10)9-8(11)6(2)3/h2,4-5H2,1,3H3,(H,9,10,11).
What are the key properties of N-(2-methylprop-2-enoyl)butanamide?
N-(2-methylprop-2-enoyl)butanamide has a molecular weight of 155.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enoyl)butanamide is sourced from PubChem (CID 22320855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).