1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid

C9H9NO4 — CID 115450308

IUPAC1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C1C=CC(=O)N1CC1(C(=O)O)CC1
InChIInChI=1S/C9H9NO4/c11-6-1-2-7(12)10(6)5-9(3-4-9)8(13)14/h1-2H,3-5H2,(H,13,14)
InChIKeyIWDZBGAJVYCNIS-UHFFFAOYSA-N
MW195.17 g/mol
LogP-0.22
Rot. Bonds3

About 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid

1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450308) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID115450308
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C1C=CC(=O)N1CC1(C(=O)O)CC1
InChIInChI=1S/C9H9NO4/c11-6-1-2-7(12)10(6)5-9(3-4-9)8(13)14/h1-2H,3-5H2,(H,13,14)
InChIKeyIWDZBGAJVYCNIS-UHFFFAOYSA-N
XLogP-0.22
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid (CID 115450308) is 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid is O=C1C=CC(=O)N1CC1(C(=O)O)CC1.
What is the InChIKey of 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IWDZBGAJVYCNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-6-1-2-7(12)10(6)5-9(3-4-9)8(13)14/h1-2H,3-5H2,(H,13,14).
What are the key properties of 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid?
1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).