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

C9H11NO4 — CID 131984550

IUPACN,N-dimethylprop-2-enamide;furan-2,5-dione
SMILESC=CC(=O)N(C)C.O=C1C=CC(=O)O1
InChIInChI=1S/C5H9NO.C4H2O3/c1-4-5(7)6(2)3;5-3-1-2-4(6)7-3/h4H,1H2,2-3H3;1-2H
InChIKeyXFJXFTZLHXPQCF-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.11
Rot. Bonds1

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

N,N-dimethylprop-2-enamide;furan-2,5-dione (PubChem CID 131984550) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is N,N-dimethylprop-2-enamide;furan-2,5-dione.

Molecular Properties

Compound NameN,N-dimethylprop-2-enamide;furan-2,5-dione
PubChem CID131984550
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC NameN,N-dimethylprop-2-enamide;furan-2,5-dione
SMILESC=CC(=O)N(C)C.O=C1C=CC(=O)O1
InChIInChI=1S/C5H9NO.C4H2O3/c1-4-5(7)6(2)3;5-3-1-2-4(6)7-3/h4H,1H2,2-3H3;1-2H
InChIKeyXFJXFTZLHXPQCF-UHFFFAOYSA-N
XLogP-0.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-2-enamide;furan-2,5-dione?
The IUPAC name of N,N-dimethylprop-2-enamide;furan-2,5-dione (CID 131984550) is N,N-dimethylprop-2-enamide;furan-2,5-dione.
What is the SMILES notation for N,N-dimethylprop-2-enamide;furan-2,5-dione?
The canonical SMILES for N,N-dimethylprop-2-enamide;furan-2,5-dione is C=CC(=O)N(C)C.O=C1C=CC(=O)O1.
What is the InChIKey of N,N-dimethylprop-2-enamide;furan-2,5-dione?
The InChIKey is XFJXFTZLHXPQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H2O3/c1-4-5(7)6(2)3;5-3-1-2-4(6)7-3/h4H,1H2,2-3H3;1-2H.
What are the key properties of N,N-dimethylprop-2-enamide;furan-2,5-dione?
N,N-dimethylprop-2-enamide;furan-2,5-dione has a molecular weight of 197.19 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-enamide;furan-2,5-dione is sourced from PubChem (CID 131984550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).