3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide

C9H16N2O2 — CID 156707047

IUPAC3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide
SMILESC/C=C(\C)N(C)CCC(=O)NC=O
InChIInChI=1S/C9H16N2O2/c1-4-8(2)11(3)6-5-9(13)10-7-12/h4,7H,5-6H2,1-3H3,(H,10,12,13)/b8-4+
InChIKeyTZXOAOOOOKTSNG-XBXARRHUSA-N
MW184.24 g/mol
LogP0.50
Rot. Bonds5

About 3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide

3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide (PubChem CID 156707047) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide.

Molecular Properties

Compound Name3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide
PubChem CID156707047
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide
SMILESC/C=C(\C)N(C)CCC(=O)NC=O
InChIInChI=1S/C9H16N2O2/c1-4-8(2)11(3)6-5-9(13)10-7-12/h4,7H,5-6H2,1-3H3,(H,10,12,13)/b8-4+
InChIKeyTZXOAOOOOKTSNG-XBXARRHUSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide
CID 88911258
N-ethenylformamide;N-ethenyl-N-methylacetamide;N-methyl-N-prop-1-en-2-ylpropanamide
CID 160804127
N-acetyl-N-methyl-3-(methylamino)but-3-enamide
CID 163452035
N-[(E)-but-2-en-2-yl]-3-(hydroxymethylamino)propanamide
CID 177061152

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide?
The IUPAC name of 3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide (CID 156707047) is 3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide.
What is the SMILES notation for 3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide?
The canonical SMILES for 3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide is C/C=C(\C)N(C)CCC(=O)NC=O.
What is the InChIKey of 3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide?
The InChIKey is TZXOAOOOOKTSNG-XBXARRHUSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-8(2)11(3)6-5-9(13)10-7-12/h4,7H,5-6H2,1-3H3,(H,10,12,13)/b8-4+.
What are the key properties of 3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide?
3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide has a molecular weight of 184.24 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide is sourced from PubChem (CID 156707047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).