1-methylpyrrole-2-carboxylic acid;1H-pyrrole

C10H12N2O2 — CID 67777575

IUPAC1-methylpyrrole-2-carboxylic acid;1H-pyrrole
SMILESCn1cccc1C(=O)O.c1cc[nH]c1
InChIInChI=1S/C6H7NO2.C4H5N/c1-7-4-2-3-5(7)6(8)9;1-2-4-5-3-1/h2-4H,1H3,(H,8,9);1-5H
InChIKeyOSFBTOVVFYNASF-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.74
Rot. Bonds1

About 1-methylpyrrole-2-carboxylic acid;1H-pyrrole

1-methylpyrrole-2-carboxylic acid;1H-pyrrole (PubChem CID 67777575) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-methylpyrrole-2-carboxylic acid;1H-pyrrole.

Molecular Properties

Compound Name1-methylpyrrole-2-carboxylic acid;1H-pyrrole
PubChem CID67777575
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-methylpyrrole-2-carboxylic acid;1H-pyrrole
SMILESCn1cccc1C(=O)O.c1cc[nH]c1
InChIInChI=1S/C6H7NO2.C4H5N/c1-7-4-2-3-5(7)6(8)9;1-2-4-5-3-1/h2-4H,1H3,(H,8,9);1-5H
InChIKeyOSFBTOVVFYNASF-UHFFFAOYSA-N
XLogP1.74
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole-2-carboxylic acid;1H-pyrrole?
The IUPAC name of 1-methylpyrrole-2-carboxylic acid;1H-pyrrole (CID 67777575) is 1-methylpyrrole-2-carboxylic acid;1H-pyrrole.
What is the SMILES notation for 1-methylpyrrole-2-carboxylic acid;1H-pyrrole?
The canonical SMILES for 1-methylpyrrole-2-carboxylic acid;1H-pyrrole is Cn1cccc1C(=O)O.c1cc[nH]c1.
What is the InChIKey of 1-methylpyrrole-2-carboxylic acid;1H-pyrrole?
The InChIKey is OSFBTOVVFYNASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C4H5N/c1-7-4-2-3-5(7)6(8)9;1-2-4-5-3-1/h2-4H,1H3,(H,8,9);1-5H.
What are the key properties of 1-methylpyrrole-2-carboxylic acid;1H-pyrrole?
1-methylpyrrole-2-carboxylic acid;1H-pyrrole has a molecular weight of 192.22 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole-2-carboxylic acid;1H-pyrrole is sourced from PubChem (CID 67777575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).