3-ethyliminopropanamide

C5H10N2O — CID 91108367

IUPAC3-ethyliminopropanamide
SMILESCC/N=C/CC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-7-4-3-5(6)8/h4H,2-3H2,1H3,(H2,6,8)/b7-4+
InChIKeyJUWOFPJGSWCTNA-QPJJXVBHSA-N
MW114.15 g/mol
LogP-0.05
Rot. Bonds3

About 3-ethyliminopropanamide

3-ethyliminopropanamide (PubChem CID 91108367) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-ethyliminopropanamide.

Molecular Properties

Compound Name3-ethyliminopropanamide
PubChem CID91108367
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-ethyliminopropanamide
SMILESCC/N=C/CC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-7-4-3-5(6)8/h4H,2-3H2,1H3,(H2,6,8)/b7-4+
InChIKeyJUWOFPJGSWCTNA-QPJJXVBHSA-N
XLogP-0.05
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-ethyliminopropanamide 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 3-ethyliminopropanamide?
The IUPAC name of 3-ethyliminopropanamide (CID 91108367) is 3-ethyliminopropanamide.
What is the SMILES notation for 3-ethyliminopropanamide?
The canonical SMILES for 3-ethyliminopropanamide is CC/N=C/CC(N)=O.
What is the InChIKey of 3-ethyliminopropanamide?
The InChIKey is JUWOFPJGSWCTNA-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-7-4-3-5(6)8/h4H,2-3H2,1H3,(H2,6,8)/b7-4+.
What are the key properties of 3-ethyliminopropanamide?
3-ethyliminopropanamide has a molecular weight of 114.15 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyliminopropanamide is sourced from PubChem (CID 91108367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).