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

C5H9NO — CID 55286584

IUPACN-[(E)-but-2-enyl]formamide
SMILESC/C=C/CNC=O
InChIInChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-3,5H,4H2,1H3,(H,6,7)/b3-2+
InChIKeyWMKYEDROLHNJEW-NSCUHMNNSA-N
MW99.13 g/mol
LogP0.31
Rot. Bonds3

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

N-[(E)-but-2-enyl]formamide (PubChem CID 55286584) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]formamide
PubChem CID55286584
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC NameN-[(E)-but-2-enyl]formamide
SMILESC/C=C/CNC=O
InChIInChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-3,5H,4H2,1H3,(H,6,7)/b3-2+
InChIKeyWMKYEDROLHNJEW-NSCUHMNNSA-N
XLogP0.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E)-but-2-enyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]formamide?
The IUPAC name of N-[(E)-but-2-enyl]formamide (CID 55286584) is N-[(E)-but-2-enyl]formamide.
What is the SMILES notation for N-[(E)-but-2-enyl]formamide?
The canonical SMILES for N-[(E)-but-2-enyl]formamide is C/C=C/CNC=O.
What is the InChIKey of N-[(E)-but-2-enyl]formamide?
The InChIKey is WMKYEDROLHNJEW-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-3,5H,4H2,1H3,(H,6,7)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]formamide?
N-[(E)-but-2-enyl]formamide has a molecular weight of 99.13 g/mol, XLogP of 0.31, 3 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]formamide is sourced from PubChem (CID 55286584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).