3-amino-1H-pyrrole-2-carboxamide

C5H7N3O — CID 22661707

IUPAC3-amino-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1[nH]ccc1N
InChIInChI=1S/C5H7N3O/c6-3-1-2-8-4(3)5(7)9/h1-2,8H,6H2,(H2,7,9)
InChIKeyQHKDIOCTRDVFNB-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.30
Rot. Bonds1

About 3-amino-1H-pyrrole-2-carboxamide

3-amino-1H-pyrrole-2-carboxamide (PubChem CID 22661707) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-amino-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-amino-1H-pyrrole-2-carboxamide
PubChem CID22661707
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name3-amino-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1[nH]ccc1N
InChIInChI=1S/C5H7N3O/c6-3-1-2-8-4(3)5(7)9/h1-2,8H,6H2,(H2,7,9)
InChIKeyQHKDIOCTRDVFNB-UHFFFAOYSA-N
XLogP-0.30
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-amino-1H-pyrrole-2-carboxamide (CID 22661707) is 3-amino-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-amino-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-amino-1H-pyrrole-2-carboxamide is NC(=O)c1[nH]ccc1N.
What is the InChIKey of 3-amino-1H-pyrrole-2-carboxamide?
The InChIKey is QHKDIOCTRDVFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-3-1-2-8-4(3)5(7)9/h1-2,8H,6H2,(H2,7,9).
What are the key properties of 3-amino-1H-pyrrole-2-carboxamide?
3-amino-1H-pyrrole-2-carboxamide has a molecular weight of 125.13 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 22661707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).