(E)-2-acetamidobut-2-enamide

C6H10N2O2 — CID 22002732

IUPAC(E)-2-acetamidobut-2-enamide
SMILESC/C=C(/NC(C)=O)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-3-5(6(7)10)8-4(2)9/h3H,1-2H3,(H2,7,10)(H,8,9)/b5-3+
InChIKeyHGVJTGGKWPEDAB-HWKANZROSA-N
MW142.16 g/mol
LogP-0.49
Rot. Bonds2

About (E)-2-acetamidobut-2-enamide

(E)-2-acetamidobut-2-enamide (PubChem CID 22002732) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (E)-2-acetamidobut-2-enamide.

Molecular Properties

Compound Name(E)-2-acetamidobut-2-enamide
PubChem CID22002732
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(E)-2-acetamidobut-2-enamide
SMILESC/C=C(/NC(C)=O)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-3-5(6(7)10)8-4(2)9/h3H,1-2H3,(H2,7,10)(H,8,9)/b5-3+
InChIKeyHGVJTGGKWPEDAB-HWKANZROSA-N
XLogP-0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Amino-6-methylpyridin-2-ol
CID 15144835
2-Acetamido-N-methylprop-2-enamide
CID 15658709
(3Z,6Z)-3,6-di(ethylidene)piperazine-2,5-dione
CID 44383794
(Z)-2-acetamido-N-methylbut-2-enamide
CID 15337749
2-Acetamidoprop-2-enamide
CID 21718533
3-Aminopyrrole-2,5-dione
CID 21906897
3-(methylamino)-1H-Pyrrole-2,5-dione
CID 55300853
2-(Propanoylamino)prop-2-enamide
CID 88291479
Dimethylaminomaleinimide
CID 129789350
2-[(1-Fluoro-2-methylpropan-2-yl)amino]but-2-enamide
CID 176070401
2-Acetamido-N,N-dimethylprop-2-enamide
CID 71361752
(E)-2-(propanoylamino)but-2-enamide
CID 134892596

Frequently Asked Questions

What is the IUPAC name of (E)-2-acetamidobut-2-enamide?
The IUPAC name of (E)-2-acetamidobut-2-enamide (CID 22002732) is (E)-2-acetamidobut-2-enamide.
What is the SMILES notation for (E)-2-acetamidobut-2-enamide?
The canonical SMILES for (E)-2-acetamidobut-2-enamide is C/C=C(/NC(C)=O)C(N)=O.
What is the InChIKey of (E)-2-acetamidobut-2-enamide?
The InChIKey is HGVJTGGKWPEDAB-HWKANZROSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-5(6(7)10)8-4(2)9/h3H,1-2H3,(H2,7,10)(H,8,9)/b5-3+.
What are the key properties of (E)-2-acetamidobut-2-enamide?
(E)-2-acetamidobut-2-enamide has a molecular weight of 142.16 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamidobut-2-enamide is sourced from PubChem (CID 22002732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).