N-(1H-pyrrol-2-yl)acetamide

C6H8N2O — CID 57140748

IUPACN-(1H-pyrrol-2-yl)acetamide
SMILESCC(=O)Nc1ccc[nH]1
InChIInChI=1S/C6H8N2O/c1-5(9)8-6-3-2-4-7-6/h2-4,7H,1H3,(H,8,9)
InChIKeyVMSMJEKROHLBMH-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.97
Rot. Bonds1

About N-(1H-pyrrol-2-yl)acetamide

N-(1H-pyrrol-2-yl)acetamide (PubChem CID 57140748) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is N-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1H-pyrrol-2-yl)acetamide
PubChem CID57140748
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC NameN-(1H-pyrrol-2-yl)acetamide
SMILESCC(=O)Nc1ccc[nH]1
InChIInChI=1S/C6H8N2O/c1-5(9)8-6-3-2-4-7-6/h2-4,7H,1H3,(H,8,9)
InChIKeyVMSMJEKROHLBMH-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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-(1H-pyrrol-2-yl)acetamide (CID 57140748) is N-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-(1H-pyrrol-2-yl)acetamide is CC(=O)Nc1ccc[nH]1.
What is the InChIKey of N-(1H-pyrrol-2-yl)acetamide?
The InChIKey is VMSMJEKROHLBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5(9)8-6-3-2-4-7-6/h2-4,7H,1H3,(H,8,9).
What are the key properties of N-(1H-pyrrol-2-yl)acetamide?
N-(1H-pyrrol-2-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-2-yl)acetamide is sourced from PubChem (CID 57140748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).