2,3-dihydro-1H-pyrrole-2-carboxamide

C5H8N2O — CID 19068010

IUPAC2,3-dihydro-1H-pyrrole-2-carboxamide
SMILESNC(=O)C1CC=CN1
InChIInChI=1S/C5H8N2O/c6-5(8)4-2-1-3-7-4/h1,3-4,7H,2H2,(H2,6,8)
InChIKeyRTKSDXUJCVGISW-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.65
Rot. Bonds1

About 2,3-dihydro-1H-pyrrole-2-carboxamide

2,3-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 19068010) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrole-2-carboxamide
PubChem CID19068010
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2,3-dihydro-1H-pyrrole-2-carboxamide
SMILESNC(=O)C1CC=CN1
InChIInChI=1S/C5H8N2O/c6-5(8)4-2-1-3-7-4/h1,3-4,7H,2H2,(H2,6,8)
InChIKeyRTKSDXUJCVGISW-UHFFFAOYSA-N
XLogP-0.65
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 ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of 2,3-dihydro-1H-pyrrole-2-carboxamide (CID 19068010) is 2,3-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 2,3-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for 2,3-dihydro-1H-pyrrole-2-carboxamide is NC(=O)C1CC=CN1.
What is the InChIKey of 2,3-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is RTKSDXUJCVGISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-5(8)4-2-1-3-7-4/h1,3-4,7H,2H2,(H2,6,8).
What are the key properties of 2,3-dihydro-1H-pyrrole-2-carboxamide?
2,3-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 112.13 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 19068010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).