N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide

C6H8N2O2 — CID 55302312

IUPACN-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide
SMILESCC(=O)NC1=CCNC1=O
InChIInChI=1S/C6H8N2O2/c1-4(9)8-5-2-3-7-6(5)10/h2H,3H2,1H3,(H,7,10)(H,8,9)
InChIKeyQZPQAZCPFVEWFX-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.86
Rot. Bonds1

About N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide

N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide (PubChem CID 55302312) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide
PubChem CID55302312
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC NameN-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide
SMILESCC(=O)NC1=CCNC1=O
InChIInChI=1S/C6H8N2O2/c1-4(9)8-5-2-3-7-6(5)10/h2H,3H2,1H3,(H,7,10)(H,8,9)
InChIKeyQZPQAZCPFVEWFX-UHFFFAOYSA-N
XLogP-0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide?
The IUPAC name of N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide (CID 55302312) is N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide.
What is the SMILES notation for N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide?
The canonical SMILES for N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide is CC(=O)NC1=CCNC1=O.
What is the InChIKey of N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide?
The InChIKey is QZPQAZCPFVEWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4(9)8-5-2-3-7-6(5)10/h2H,3H2,1H3,(H,7,10)(H,8,9).
What are the key properties of N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide?
N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide has a molecular weight of 140.14 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1,2-dihydropyrrol-4-yl)acetamide is sourced from PubChem (CID 55302312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).