3-oxo-N-pyrrol-1-ylpropanamide

C7H8N2O2 — CID 175709956

IUPAC3-oxo-N-pyrrol-1-ylpropanamide
SMILESO=CCC(=O)Nn1cccc1
InChIInChI=1S/C7H8N2O2/c10-6-3-7(11)8-9-4-1-2-5-9/h1-2,4-6H,3H2,(H,8,11)
InChIKeyJHGNIDJOSMAZDH-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.15
Rot. Bonds3

About 3-oxo-N-pyrrol-1-ylpropanamide

3-oxo-N-pyrrol-1-ylpropanamide (PubChem CID 175709956) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-oxo-N-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-oxo-N-pyrrol-1-ylpropanamide
PubChem CID175709956
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3-oxo-N-pyrrol-1-ylpropanamide
SMILESO=CCC(=O)Nn1cccc1
InChIInChI=1S/C7H8N2O2/c10-6-3-7(11)8-9-4-1-2-5-9/h1-2,4-6H,3H2,(H,8,11)
InChIKeyJHGNIDJOSMAZDH-UHFFFAOYSA-N
XLogP0.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pyrrol-1-ylpropanamide?
The IUPAC name of 3-oxo-N-pyrrol-1-ylpropanamide (CID 175709956) is 3-oxo-N-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-oxo-N-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-oxo-N-pyrrol-1-ylpropanamide is O=CCC(=O)Nn1cccc1.
What is the InChIKey of 3-oxo-N-pyrrol-1-ylpropanamide?
The InChIKey is JHGNIDJOSMAZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-6-3-7(11)8-9-4-1-2-5-9/h1-2,4-6H,3H2,(H,8,11).
What are the key properties of 3-oxo-N-pyrrol-1-ylpropanamide?
3-oxo-N-pyrrol-1-ylpropanamide has a molecular weight of 152.15 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pyrrol-1-ylpropanamide is sourced from PubChem (CID 175709956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).