2-pyrrol-1-ylacetamide

C6H8N2O — CID 19973177

IUPAC2-pyrrol-1-ylacetamide
SMILESNC(=O)Cn1cccc1
InChIInChI=1S/C6H8N2O/c7-6(9)5-8-3-1-2-4-8/h1-4H,5H2,(H2,7,9)
InChIKeyMRQDZZYADCGMBK-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.03
Rot. Bonds2

About 2-pyrrol-1-ylacetamide

2-pyrrol-1-ylacetamide (PubChem CID 19973177) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name2-pyrrol-1-ylacetamide
PubChem CID19973177
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-pyrrol-1-ylacetamide
SMILESNC(=O)Cn1cccc1
InChIInChI=1S/C6H8N2O/c7-6(9)5-8-3-1-2-4-8/h1-4H,5H2,(H2,7,9)
InChIKeyMRQDZZYADCGMBK-UHFFFAOYSA-N
XLogP-0.03
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-ylacetamide?
The IUPAC name of 2-pyrrol-1-ylacetamide (CID 19973177) is 2-pyrrol-1-ylacetamide.
What is the SMILES notation for 2-pyrrol-1-ylacetamide?
The canonical SMILES for 2-pyrrol-1-ylacetamide is NC(=O)Cn1cccc1.
What is the InChIKey of 2-pyrrol-1-ylacetamide?
The InChIKey is MRQDZZYADCGMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-6(9)5-8-3-1-2-4-8/h1-4H,5H2,(H2,7,9).
What are the key properties of 2-pyrrol-1-ylacetamide?
2-pyrrol-1-ylacetamide has a molecular weight of 124.14 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-ylacetamide is sourced from PubChem (CID 19973177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).