N-(1H-pyrrol-3-yl)acetamide

C6H8N2O — CID 19962870

IUPACN-(1H-pyrrol-3-yl)acetamide
SMILESCC(=O)Nc1cc[nH]c1
InChIInChI=1S/C6H8N2O/c1-5(9)8-6-2-3-7-4-6/h2-4,7H,1H3,(H,8,9)
InChIKeyMXYIEYRHHQWZQY-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.97
Rot. Bonds1

About N-(1H-pyrrol-3-yl)acetamide

N-(1H-pyrrol-3-yl)acetamide (PubChem CID 19962870) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is N-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-yl)acetamide
PubChem CID19962870
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC NameN-(1H-pyrrol-3-yl)acetamide
SMILESCC(=O)Nc1cc[nH]c1
InChIInChI=1S/C6H8N2O/c1-5(9)8-6-2-3-7-4-6/h2-4,7H,1H3,(H,8,9)
InChIKeyMXYIEYRHHQWZQY-UHFFFAOYSA-N
XLogP0.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(1H-pyrrol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(1H-pyrrol-3-yl)acetamide (CID 19962870) is N-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(1H-pyrrol-3-yl)acetamide is CC(=O)Nc1cc[nH]c1.
What is the InChIKey of N-(1H-pyrrol-3-yl)acetamide?
The InChIKey is MXYIEYRHHQWZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5(9)8-6-2-3-7-4-6/h2-4,7H,1H3,(H,8,9).
What are the key properties of N-(1H-pyrrol-3-yl)acetamide?
N-(1H-pyrrol-3-yl)acetamide has a molecular weight of 124.14 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 19962870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).