2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide

C9H10N2O3 — CID 118387774

IUPAC2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide
SMILESC=C(C(N)=O)N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C9H10N2O3/c1-4-5(2)9(14)11(8(4)13)6(3)7(10)12/h3H2,1-2H3,(H2,10,12)
InChIKeyXXCMCRLJMMPQGN-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.31
Rot. Bonds2

About 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide

2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide (PubChem CID 118387774) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide
PubChem CID118387774
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide
SMILESC=C(C(N)=O)N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C9H10N2O3/c1-4-5(2)9(14)11(8(4)13)6(3)7(10)12/h3H2,1-2H3,(H2,10,12)
InChIKeyXXCMCRLJMMPQGN-UHFFFAOYSA-N
XLogP-0.31
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.31
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide?
The IUPAC name of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide (CID 118387774) is 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide.
What is the SMILES notation for 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide?
The canonical SMILES for 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide is C=C(C(N)=O)N1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide?
The InChIKey is XXCMCRLJMMPQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-4-5(2)9(14)11(8(4)13)6(3)7(10)12/h3H2,1-2H3,(H2,10,12).
What are the key properties of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide?
2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide has a molecular weight of 194.19 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)prop-2-enamide is sourced from PubChem (CID 118387774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).