N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide

C10H16N2O — CID 139505979

IUPACN-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide
SMILES[H]/N=C/C=C(\C=C)CNC(=O)C(C)C
InChIInChI=1S/C10H16N2O/c1-4-9(5-6-11)7-12-10(13)8(2)3/h4-6,8,11H,1,7H2,2-3H3,(H,12,13)/b9-5+,11-6+
InChIKeyIXESJRWSWGYQNB-MPEOSAONSA-N
MW180.25 g/mol
LogP1.52
Rot. Bonds5

About N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide

N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide (PubChem CID 139505979) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide
PubChem CID139505979
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide
SMILES[H]/N=C/C=C(\C=C)CNC(=O)C(C)C
InChIInChI=1S/C10H16N2O/c1-4-9(5-6-11)7-12-10(13)8(2)3/h4-6,8,11H,1,7H2,2-3H3,(H,12,13)/b9-5+,11-6+
InChIKeyIXESJRWSWGYQNB-MPEOSAONSA-N
XLogP1.52
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-2-ethenyl-4-iminobut-2-enyl]-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)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide?
The IUPAC name of N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide (CID 139505979) is N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide.
What is the SMILES notation for N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide?
The canonical SMILES for N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide is [H]/N=C/C=C(\C=C)CNC(=O)C(C)C.
What is the InChIKey of N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide?
The InChIKey is IXESJRWSWGYQNB-MPEOSAONSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9(5-6-11)7-12-10(13)8(2)3/h4-6,8,11H,1,7H2,2-3H3,(H,12,13)/b9-5+,11-6+.
What are the key properties of N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide?
N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide has a molecular weight of 180.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide is sourced from PubChem (CID 139505979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).