N,N-dimethylprop-2-enamide;pyrrole-2,5-dione

C9H12N2O3 — CID 21465815

IUPACN,N-dimethylprop-2-enamide;pyrrole-2,5-dione
SMILESC=CC(=O)N(C)C.O=C1C=CC(=O)N1
InChIInChI=1S/C5H9NO.C4H3NO2/c1-4-5(7)6(2)3;6-3-1-2-4(7)5-3/h4H,1H2,2-3H3;1-2H,(H,5,6,7)
InChIKeyIWXDXQKNXOGNEZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.54
Rot. Bonds1

About N,N-dimethylprop-2-enamide;pyrrole-2,5-dione

N,N-dimethylprop-2-enamide;pyrrole-2,5-dione (PubChem CID 21465815) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N,N-dimethylprop-2-enamide;pyrrole-2,5-dione.

Molecular Properties

Compound NameN,N-dimethylprop-2-enamide;pyrrole-2,5-dione
PubChem CID21465815
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN,N-dimethylprop-2-enamide;pyrrole-2,5-dione
SMILESC=CC(=O)N(C)C.O=C1C=CC(=O)N1
InChIInChI=1S/C5H9NO.C4H3NO2/c1-4-5(7)6(2)3;6-3-1-2-4(7)5-3/h4H,1H2,2-3H3;1-2H,(H,5,6,7)
InChIKeyIWXDXQKNXOGNEZ-UHFFFAOYSA-N
XLogP-0.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 10241184
1-(3-Dimethylaminopropyl)-1H-pyrrole-2,5-dione
CID 151256
N-(2-Aminoethyl)maleimide
CID 2778791
n-Ethylmaleamide
CID 46940416
N'-ethylbut-2-enediamide
CID 54041693
1-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 22377079
N'-butylbut-2-enediamide
CID 54509665
N'-propylbut-2-enediamide
CID 54527770
But-2-enedioic acid bis-allylamide
CID 6026599
(E)-N,N'-dipropylbut-2-enediamide
CID 6083413
Ethene;1-propylpyrrole-2,5-dione
CID 285261
N,N'-bis(prop-2-enyl)but-2-enediamide
CID 294451

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-2-enamide;pyrrole-2,5-dione?
The IUPAC name of N,N-dimethylprop-2-enamide;pyrrole-2,5-dione (CID 21465815) is N,N-dimethylprop-2-enamide;pyrrole-2,5-dione.
What is the SMILES notation for N,N-dimethylprop-2-enamide;pyrrole-2,5-dione?
The canonical SMILES for N,N-dimethylprop-2-enamide;pyrrole-2,5-dione is C=CC(=O)N(C)C.O=C1C=CC(=O)N1.
What is the InChIKey of N,N-dimethylprop-2-enamide;pyrrole-2,5-dione?
The InChIKey is IWXDXQKNXOGNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H3NO2/c1-4-5(7)6(2)3;6-3-1-2-4(7)5-3/h4H,1H2,2-3H3;1-2H,(H,5,6,7).
What are the key properties of N,N-dimethylprop-2-enamide;pyrrole-2,5-dione?
N,N-dimethylprop-2-enamide;pyrrole-2,5-dione has a molecular weight of 196.21 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-enamide;pyrrole-2,5-dione is sourced from PubChem (CID 21465815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).