N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide

C9H16N2O2 — CID 142340067

IUPACN-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide
SMILESCN(C/C=C/CN)C(=O)CCC=O
InChIInChI=1S/C9H16N2O2/c1-11(7-3-2-6-10)9(13)5-4-8-12/h2-3,8H,4-7,10H2,1H3/b3-2+
InChIKeyWXACGUCKUKBOIS-NSCUHMNNSA-N
MW184.24 g/mol
LogP-0.06
Rot. Bonds6

About N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide

N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide (PubChem CID 142340067) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide
PubChem CID142340067
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide
SMILESCN(C/C=C/CN)C(=O)CCC=O
InChIInChI=1S/C9H16N2O2/c1-11(7-3-2-6-10)9(13)5-4-8-12/h2-3,8H,4-7,10H2,1H3/b3-2+
InChIKeyWXACGUCKUKBOIS-NSCUHMNNSA-N
XLogP-0.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide?
The IUPAC name of N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide (CID 142340067) is N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide?
The canonical SMILES for N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide is CN(C/C=C/CN)C(=O)CCC=O.
What is the InChIKey of N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide?
The InChIKey is WXACGUCKUKBOIS-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-11(7-3-2-6-10)9(13)5-4-8-12/h2-3,8H,4-7,10H2,1H3/b3-2+.
What are the key properties of N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide?
N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide has a molecular weight of 184.24 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-2-enyl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 142340067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).