pyrrole-1-carboxylic acid;thiophene

C9H9NO2S — CID 175212258

IUPACpyrrole-1-carboxylic acid;thiophene
SMILESO=C(O)n1cccc1.c1ccsc1
InChIInChI=1S/C5H5NO2.C4H4S/c7-5(8)6-3-1-2-4-6;1-2-4-5-3-1/h1-4H,(H,7,8);1-4H
InChIKeyXPKGIJVMAPTADM-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.76
Rot. Bonds

About pyrrole-1-carboxylic acid;thiophene

pyrrole-1-carboxylic acid;thiophene (PubChem CID 175212258) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is pyrrole-1-carboxylic acid;thiophene.

Molecular Properties

Compound Namepyrrole-1-carboxylic acid;thiophene
PubChem CID175212258
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Namepyrrole-1-carboxylic acid;thiophene
SMILESO=C(O)n1cccc1.c1ccsc1
InChIInChI=1S/C5H5NO2.C4H4S/c7-5(8)6-3-1-2-4-6;1-2-4-5-3-1/h1-4H,(H,7,8);1-4H
InChIKeyXPKGIJVMAPTADM-UHFFFAOYSA-N
XLogP2.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrole-1-carboxylic acid;thiophene?
The IUPAC name of pyrrole-1-carboxylic acid;thiophene (CID 175212258) is pyrrole-1-carboxylic acid;thiophene.
What is the SMILES notation for pyrrole-1-carboxylic acid;thiophene?
The canonical SMILES for pyrrole-1-carboxylic acid;thiophene is O=C(O)n1cccc1.c1ccsc1.
What is the InChIKey of pyrrole-1-carboxylic acid;thiophene?
The InChIKey is XPKGIJVMAPTADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.C4H4S/c7-5(8)6-3-1-2-4-6;1-2-4-5-3-1/h1-4H,(H,7,8);1-4H.
What are the key properties of pyrrole-1-carboxylic acid;thiophene?
pyrrole-1-carboxylic acid;thiophene has a molecular weight of 195.24 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole-1-carboxylic acid;thiophene is sourced from PubChem (CID 175212258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).