2-(ethylideneamino)-N-methylpropanamide

C6H12N2O — CID 23384096

IUPAC2-(ethylideneamino)-N-methylpropanamide
SMILESC/C=N/C(C)C(=O)NC
InChIInChI=1S/C6H12N2O/c1-4-8-5(2)6(9)7-3/h4-5H,1-3H3,(H,7,9)/b8-4+
InChIKeyNJJMCGUWGBJYRP-XBXARRHUSA-N
MW128.17 g/mol
LogP0.21
Rot. Bonds2

About 2-(ethylideneamino)-N-methylpropanamide

2-(ethylideneamino)-N-methylpropanamide (PubChem CID 23384096) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(ethylideneamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(ethylideneamino)-N-methylpropanamide
PubChem CID23384096
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-(ethylideneamino)-N-methylpropanamide
SMILESC/C=N/C(C)C(=O)NC
InChIInChI=1S/C6H12N2O/c1-4-8-5(2)6(9)7-3/h4-5H,1-3H3,(H,7,9)/b8-4+
InChIKeyNJJMCGUWGBJYRP-XBXARRHUSA-N
XLogP0.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylideneamino)-N-methylpropanamide?
The IUPAC name of 2-(ethylideneamino)-N-methylpropanamide (CID 23384096) is 2-(ethylideneamino)-N-methylpropanamide.
What is the SMILES notation for 2-(ethylideneamino)-N-methylpropanamide?
The canonical SMILES for 2-(ethylideneamino)-N-methylpropanamide is C/C=N/C(C)C(=O)NC.
What is the InChIKey of 2-(ethylideneamino)-N-methylpropanamide?
The InChIKey is NJJMCGUWGBJYRP-XBXARRHUSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-8-5(2)6(9)7-3/h4-5H,1-3H3,(H,7,9)/b8-4+.
What are the key properties of 2-(ethylideneamino)-N-methylpropanamide?
2-(ethylideneamino)-N-methylpropanamide has a molecular weight of 128.17 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)-N-methylpropanamide is sourced from PubChem (CID 23384096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).