N-[(E)-but-2-enyl]butanamide

C8H15NO — CID 11829551

IUPACN-[(E)-but-2-enyl]butanamide
SMILESC/C=C/CNC(=O)CCC
InChIInChI=1S/C8H15NO/c1-3-5-7-9-8(10)6-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3+
InChIKeyYUGDPYASPVICBB-HWKANZROSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds4

About N-[(E)-but-2-enyl]butanamide

N-[(E)-but-2-enyl]butanamide (PubChem CID 11829551) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]butanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]butanamide
PubChem CID11829551
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-[(E)-but-2-enyl]butanamide
SMILESC/C=C/CNC(=O)CCC
InChIInChI=1S/C8H15NO/c1-3-5-7-9-8(10)6-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3+
InChIKeyYUGDPYASPVICBB-HWKANZROSA-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-[(E)-but-2-enyl]butanamide?
The IUPAC name of N-[(E)-but-2-enyl]butanamide (CID 11829551) is N-[(E)-but-2-enyl]butanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]butanamide?
The canonical SMILES for N-[(E)-but-2-enyl]butanamide is C/C=C/CNC(=O)CCC.
What is the InChIKey of N-[(E)-but-2-enyl]butanamide?
The InChIKey is YUGDPYASPVICBB-HWKANZROSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-7-9-8(10)6-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3+.
What are the key properties of N-[(E)-but-2-enyl]butanamide?
N-[(E)-but-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-[(E)-but-2-enyl]butanamide is sourced from PubChem (CID 11829551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).