N-(2-methylprop-2-enyl)butanamide

C8H15NO — CID 114618786

IUPACN-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CCC
InChIInChI=1S/C8H15NO/c1-4-5-8(10)9-6-7(2)3/h2,4-6H2,1,3H3,(H,9,10)
InChIKeyMWLAIDORQAGDNM-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds4

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

N-(2-methylprop-2-enyl)butanamide (PubChem CID 114618786) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)butanamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)butanamide
PubChem CID114618786
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CCC
InChIInChI=1S/C8H15NO/c1-4-5-8(10)9-6-7(2)3/h2,4-6H2,1,3H3,(H,9,10)
InChIKeyMWLAIDORQAGDNM-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)butanamide?
The IUPAC name of N-(2-methylprop-2-enyl)butanamide (CID 114618786) is N-(2-methylprop-2-enyl)butanamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)butanamide?
The canonical SMILES for N-(2-methylprop-2-enyl)butanamide is C=C(C)CNC(=O)CCC.
What is the InChIKey of N-(2-methylprop-2-enyl)butanamide?
The InChIKey is MWLAIDORQAGDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-8(10)9-6-7(2)3/h2,4-6H2,1,3H3,(H,9,10).
What are the key properties of N-(2-methylprop-2-enyl)butanamide?
N-(2-methylprop-2-enyl)butanamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)butanamide is sourced from PubChem (CID 114618786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).