2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid

C9H11NO3 — CID 131160531

IUPAC2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CC=CC1
InChIInChI=1S/C9H11NO3/c11-8(10-3-1-2-4-10)6-5-7(6)9(12)13/h1-2,6-7H,3-5H2,(H,12,13)
InChIKeyYSZRJDYNYQATTJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.11
Rot. Bonds2

About 2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid

2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 131160531) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID131160531
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CC=CC1
InChIInChI=1S/C9H11NO3/c11-8(10-3-1-2-4-10)6-5-7(6)9(12)13/h1-2,6-7H,3-5H2,(H,12,13)
InChIKeyYSZRJDYNYQATTJ-UHFFFAOYSA-N
XLogP0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid (CID 131160531) is 2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)N1CC=CC1.
What is the InChIKey of 2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is YSZRJDYNYQATTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-8(10-3-1-2-4-10)6-5-7(6)9(12)13/h1-2,6-7H,3-5H2,(H,12,13).
What are the key properties of 2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid?
2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 131160531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).