N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide

C10H18N2O — CID 170752208

IUPACN-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide
SMILESC/C=C(\C=N\CC)NC(=O)C(C)C
InChIInChI=1S/C10H18N2O/c1-5-9(7-11-6-2)12-10(13)8(3)4/h5,7-8H,6H2,1-4H3,(H,12,13)/b9-5+,11-7+
InChIKeyDYRIQUJQKRNJSZ-TWHYHQCRSA-N
MW182.27 g/mol
LogP1.75
Rot. Bonds4

About N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide

N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide (PubChem CID 170752208) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide
PubChem CID170752208
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide
SMILESC/C=C(\C=N\CC)NC(=O)C(C)C
InChIInChI=1S/C10H18N2O/c1-5-9(7-11-6-2)12-10(13)8(3)4/h5,7-8H,6H2,1-4H3,(H,12,13)/b9-5+,11-7+
InChIKeyDYRIQUJQKRNJSZ-TWHYHQCRSA-N
XLogP1.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide 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)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide (CID 170752208) is N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide is C/C=C(\C=N\CC)NC(=O)C(C)C.
What is the InChIKey of N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide?
The InChIKey is DYRIQUJQKRNJSZ-TWHYHQCRSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-9(7-11-6-2)12-10(13)8(3)4/h5,7-8H,6H2,1-4H3,(H,12,13)/b9-5+,11-7+.
What are the key properties of N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide?
N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide has a molecular weight of 182.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide is sourced from PubChem (CID 170752208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).