2-(2-methyliminoethylimino)propanamide

C6H11N3O — CID 123340543

IUPAC2-(2-methyliminoethylimino)propanamide
SMILESC/N=C/C/N=C(\C)C(N)=O
InChIInChI=1S/C6H11N3O/c1-5(6(7)10)9-4-3-8-2/h3H,4H2,1-2H3,(H2,7,10)/b8-3+,9-5+
InChIKeyFDSDAJKELHSWCY-RWQQVSAMSA-N
MW141.17 g/mol
LogP-0.37
Rot. Bonds3

About 2-(2-methyliminoethylimino)propanamide

2-(2-methyliminoethylimino)propanamide (PubChem CID 123340543) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(2-methyliminoethylimino)propanamide.

Molecular Properties

Compound Name2-(2-methyliminoethylimino)propanamide
PubChem CID123340543
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(2-methyliminoethylimino)propanamide
SMILESC/N=C/C/N=C(\C)C(N)=O
InChIInChI=1S/C6H11N3O/c1-5(6(7)10)9-4-3-8-2/h3H,4H2,1-2H3,(H2,7,10)/b8-3+,9-5+
InChIKeyFDSDAJKELHSWCY-RWQQVSAMSA-N
XLogP-0.37
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methyliminoethylimino)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-imino-N-methylidenepropanamide
CID 20646586
3-Methyliminopropanamide
CID 54297229
2-Methyliminopropanamide
CID 55289375
2-Propan-2-yliminoacetamide
CID 55291127
2-(2-Aminoethylimino)propanamide
CID 57269019
6-methyl-2H-pyrazin-5-one
CID 57604479
N-(deuteriomethylidene)-3-iminopropanamide
CID 59952858
2-(Ethyliminomethylimino)propanamide
CID 90245736
3-Propyliminopropanamide
CID 90937400
3-Ethyliminopropanamide
CID 91108367
3-Propan-2-yliminopropanamide
CID 91185251
2,5-Dihydropyrazine-3-carboxamide
CID 91365039

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyliminoethylimino)propanamide?
The IUPAC name of 2-(2-methyliminoethylimino)propanamide (CID 123340543) is 2-(2-methyliminoethylimino)propanamide.
What is the SMILES notation for 2-(2-methyliminoethylimino)propanamide?
The canonical SMILES for 2-(2-methyliminoethylimino)propanamide is C/N=C/C/N=C(\C)C(N)=O.
What is the InChIKey of 2-(2-methyliminoethylimino)propanamide?
The InChIKey is FDSDAJKELHSWCY-RWQQVSAMSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(6(7)10)9-4-3-8-2/h3H,4H2,1-2H3,(H2,7,10)/b8-3+,9-5+.
What are the key properties of 2-(2-methyliminoethylimino)propanamide?
2-(2-methyliminoethylimino)propanamide has a molecular weight of 141.17 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyliminoethylimino)propanamide is sourced from PubChem (CID 123340543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).