1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione

C9H9N3O3 — CID 70199346

IUPAC1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione
SMILESNC(=O)c1ccc[nH]1.O=C1C=CNC1=O
InChIInChI=1S/C5H6N2O.C4H3NO2/c6-5(8)4-2-1-3-7-4;6-3-1-2-5-4(3)7/h1-3,7H,(H2,6,8);1-2H,(H,5,6,7)
InChIKeyLHYUKYCBLKEGEC-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.69
Rot. Bonds1

About 1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione

1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione (PubChem CID 70199346) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione.

Molecular Properties

Compound Name1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione
PubChem CID70199346
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione
SMILESNC(=O)c1ccc[nH]1.O=C1C=CNC1=O
InChIInChI=1S/C5H6N2O.C4H3NO2/c6-5(8)4-2-1-3-7-4;6-3-1-2-5-4(3)7/h1-3,7H,(H2,6,8);1-2H,(H,5,6,7)
InChIKeyLHYUKYCBLKEGEC-UHFFFAOYSA-N
XLogP-0.69
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione?
The IUPAC name of 1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione (CID 70199346) is 1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione.
What is the SMILES notation for 1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione?
The canonical SMILES for 1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione is NC(=O)c1ccc[nH]1.O=C1C=CNC1=O.
What is the InChIKey of 1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione?
The InChIKey is LHYUKYCBLKEGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C4H3NO2/c6-5(8)4-2-1-3-7-4;6-3-1-2-5-4(3)7/h1-3,7H,(H2,6,8);1-2H,(H,5,6,7).
What are the key properties of 1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione?
1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione has a molecular weight of 207.19 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-2-carboxamide;1H-pyrrole-2,3-dione is sourced from PubChem (CID 70199346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).