cyclopenta[b]pyrrole-2-carboxamide

C8H6N2O — CID 19426337

IUPACcyclopenta[b]pyrrole-2-carboxamide
SMILESNC(=O)C1=CC2=CC=CC2=N1
InChIInChI=1S/C8H6N2O/c9-8(11)7-4-5-2-1-3-6(5)10-7/h1-4H,(H2,9,11)
InChIKeyCZGBNUWNLMSMNU-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.31
Rot. Bonds1

About cyclopenta[b]pyrrole-2-carboxamide

cyclopenta[b]pyrrole-2-carboxamide (PubChem CID 19426337) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is cyclopenta[b]pyrrole-2-carboxamide.

Molecular Properties

Compound Namecyclopenta[b]pyrrole-2-carboxamide
PubChem CID19426337
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Namecyclopenta[b]pyrrole-2-carboxamide
SMILESNC(=O)C1=CC2=CC=CC2=N1
InChIInChI=1S/C8H6N2O/c9-8(11)7-4-5-2-1-3-6(5)10-7/h1-4H,(H2,9,11)
InChIKeyCZGBNUWNLMSMNU-UHFFFAOYSA-N
XLogP0.31
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[b]pyrrole-2-carboxamide?
The IUPAC name of cyclopenta[b]pyrrole-2-carboxamide (CID 19426337) is cyclopenta[b]pyrrole-2-carboxamide.
What is the SMILES notation for cyclopenta[b]pyrrole-2-carboxamide?
The canonical SMILES for cyclopenta[b]pyrrole-2-carboxamide is NC(=O)C1=CC2=CC=CC2=N1.
What is the InChIKey of cyclopenta[b]pyrrole-2-carboxamide?
The InChIKey is CZGBNUWNLMSMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c9-8(11)7-4-5-2-1-3-6(5)10-7/h1-4H,(H2,9,11).
What are the key properties of cyclopenta[b]pyrrole-2-carboxamide?
cyclopenta[b]pyrrole-2-carboxamide has a molecular weight of 146.15 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[b]pyrrole-2-carboxamide is sourced from PubChem (CID 19426337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).