(2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate

C9H9NO4 — CID 19762154

IUPAC(2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCN1C(=O)C=CC1=O
InChIInChI=1S/C9H9NO4/c1-6(2)9(13)14-5-10-7(11)3-4-8(10)12/h3-4H,1,5H2,2H3
InChIKeyOBPLTMDBJUTQER-UHFFFAOYSA-N
MW195.17 g/mol
LogP-0.01
Rot. Bonds3

About (2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate

(2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate (PubChem CID 19762154) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate
PubChem CID19762154
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name(2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCN1C(=O)C=CC1=O
InChIInChI=1S/C9H9NO4/c1-6(2)9(13)14-5-10-7(11)3-4-8(10)12/h3-4H,1,5H2,2H3
InChIKeyOBPLTMDBJUTQER-UHFFFAOYSA-N
XLogP-0.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate (CID 19762154) is (2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate?
The InChIKey is OBPLTMDBJUTQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-6(2)9(13)14-5-10-7(11)3-4-8(10)12/h3-4H,1,5H2,2H3.
What are the key properties of (2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate?
(2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate has a molecular weight of 195.17 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 19762154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).