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

C9H9NO3 — CID 116918530

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 Name2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID116918530
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-(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
XLogP0.92
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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).