2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid

Name: 2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₉NO₃ — CID 116918530

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid

SMILESO=C(O)C1CC1C(=O)c1cc[nH]c1

InChIInChI=1S/C9H9NO3/c11-8(5-1-2-10-4-5)6-3-7(6)9(12)13/h1-2,4,6-7,10H,3H2,(H,12,13)

InChIKeyQFNAFWSXNHWGNQ-UHFFFAOYSA-N

MW179.17 g/mol

LogP0.92

Rot. Bonds3

About 2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid

2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 116918530) has the molecular formula C₉H₉NO₃ and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name	2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID	116918530
Molecular Formula	C₉H₉NO₃
Molecular Weight	179.17 g/mol
Exact Mass	179.06
IUPAC Name	2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid
SMILES	O=C(O)C1CC1C(=O)c1cc[nH]c1
InChI	InChI=1S/C9H9NO3/c11-8(5-1-2-10-4-5)6-3-7(6)9(12)13/h1-2,4,6-7,10H,3H2,(H,12,13)
InChIKey	QFNAFWSXNHWGNQ-UHFFFAOYSA-N
XLogP	0.92
TPSA	70.16 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.17
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid?

The IUPAC name of 2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid (CID 116918530) is 2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid.

What is the SMILES notation for 2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid?

The canonical SMILES for 2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)c1cc[nH]c1.

What is the InChIKey of 2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid?

The InChIKey is QFNAFWSXNHWGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8(5-1-2-10-4-5)6-3-7(6)9(12)13/h1-2,4,6-7,10H,3H2,(H,12,13).

What are the key properties of 2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid?

2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116918530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 116918530 — identifiers, structure, computed properties (public domain)

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