2-amino-N-pyrrol-1-ylacetamide

C6H9N3O — CID 19973159

IUPAC2-amino-N-pyrrol-1-ylacetamide
SMILESNCC(=O)Nn1cccc1
InChIInChI=1S/C6H9N3O/c7-5-6(10)8-9-3-1-2-4-9/h1-4H,5,7H2,(H,8,10)
InChIKeyCJEYMFHWNZSSBF-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.48
Rot. Bonds2

About 2-amino-N-pyrrol-1-ylacetamide

2-amino-N-pyrrol-1-ylacetamide (PubChem CID 19973159) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-amino-N-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name2-amino-N-pyrrol-1-ylacetamide
PubChem CID19973159
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-amino-N-pyrrol-1-ylacetamide
SMILESNCC(=O)Nn1cccc1
InChIInChI=1S/C6H9N3O/c7-5-6(10)8-9-3-1-2-4-9/h1-4H,5,7H2,(H,8,10)
InChIKeyCJEYMFHWNZSSBF-UHFFFAOYSA-N
XLogP-0.48
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pyrrol-1-ylacetamide?
The IUPAC name of 2-amino-N-pyrrol-1-ylacetamide (CID 19973159) is 2-amino-N-pyrrol-1-ylacetamide.
What is the SMILES notation for 2-amino-N-pyrrol-1-ylacetamide?
The canonical SMILES for 2-amino-N-pyrrol-1-ylacetamide is NCC(=O)Nn1cccc1.
What is the InChIKey of 2-amino-N-pyrrol-1-ylacetamide?
The InChIKey is CJEYMFHWNZSSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-5-6(10)8-9-3-1-2-4-9/h1-4H,5,7H2,(H,8,10).
What are the key properties of 2-amino-N-pyrrol-1-ylacetamide?
2-amino-N-pyrrol-1-ylacetamide has a molecular weight of 139.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pyrrol-1-ylacetamide is sourced from PubChem (CID 19973159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).