2,5-dihydro-1H-pyrrole-2-carboxamide

C5H8N2O — CID 549255

IUPAC2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESNC(=O)C1C=CCN1
InChIInChI=1S/C5H8N2O/c6-5(8)4-2-1-3-7-4/h1-2,4,7H,3H2,(H2,6,8)
InChIKeyJMUVYFOYOQNXDU-UHFFFAOYSA-N
MW112.13 g/mol
LogP-1.00
Rot. Bonds1

About 2,5-dihydro-1H-pyrrole-2-carboxamide

2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 549255) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID549255
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESNC(=O)C1C=CCN1
InChIInChI=1S/C5H8N2O/c6-5(8)4-2-1-3-7-4/h1-2,4,7H,3H2,(H2,6,8)
InChIKeyJMUVYFOYOQNXDU-UHFFFAOYSA-N
XLogP-1.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of 2,5-dihydro-1H-pyrrole-2-carboxamide (CID 549255) is 2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for 2,5-dihydro-1H-pyrrole-2-carboxamide is NC(=O)C1C=CCN1.
What is the InChIKey of 2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is JMUVYFOYOQNXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-5(8)4-2-1-3-7-4/h1-2,4,7H,3H2,(H2,6,8).
What are the key properties of 2,5-dihydro-1H-pyrrole-2-carboxamide?
2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 112.13 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 549255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).