1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid

C9H8N2O2 — CID 18932590

IUPAC1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1ccc[nH]1
InChIInChI=1S/C9H8N2O2/c12-9(13)7-3-2-6-11(7)8-4-1-5-10-8/h1-6,10H,(H,12,13)
InChIKeyZETVOMSSGQGOGG-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.50
Rot. Bonds2

About 1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid

1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid (PubChem CID 18932590) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid
PubChem CID18932590
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1ccc[nH]1
InChIInChI=1S/C9H8N2O2/c12-9(13)7-3-2-6-11(7)8-4-1-5-10-8/h1-6,10H,(H,12,13)
InChIKeyZETVOMSSGQGOGG-UHFFFAOYSA-N
XLogP1.50
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrole-2-Carboxylic Acid
CID 12473
6-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid
CID 63650619
Pyrrol-d-carboxylic acid
CID 129719279
Azolium azolate
CID 129735344
CID 138734509
CID 138734509
1-[3-Methyl-5-(trifluoromethyl)pyridin-2-yl]pyrrole-2-carboxylic acid
CID 69084029
fluoro 5-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]-4-methanimidoyl-1H-pyrrole-2-carboxylate
CID 143604968
1-[5-(Trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
CID 175768158
1-(5-Fluoro-2-pyridinyl)pyrrole-2-carboxylic acid
CID 175768383
methyl 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrrole-2-carboxylate
CID 176309018
Gold azolate
CID 129731332
Dihydroazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 129734045

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid (CID 18932590) is 1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1-c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid?
The InChIKey is ZETVOMSSGQGOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9(13)7-3-2-6-11(7)8-4-1-5-10-8/h1-6,10H,(H,12,13).
What are the key properties of 1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid?
1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 18932590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).