4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid

C9H9NO3 — CID 1482671

IUPAC4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)C2CC2)c[nH]1
InChIInChI=1S/C9H9NO3/c11-8(5-1-2-5)6-3-7(9(12)13)10-4-6/h3-5,10H,1-2H2,(H,12,13)
InChIKeyVSKWTQFNEAQPHD-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.31
Rot. Bonds3

About 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid

4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 1482671) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
PubChem CID1482671
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)C2CC2)c[nH]1
InChIInChI=1S/C9H9NO3/c11-8(5-1-2-5)6-3-7(9(12)13)10-4-6/h3-5,10H,1-2H2,(H,12,13)
InChIKeyVSKWTQFNEAQPHD-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid (CID 1482671) is 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(C(=O)C2CC2)c[nH]1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is VSKWTQFNEAQPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8(5-1-2-5)6-3-7(9(12)13)10-4-6/h3-5,10H,1-2H2,(H,12,13).
What are the key properties of 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 1482671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).