2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide

C11H18N2O2 — CID 23531064

IUPAC2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide
SMILESCCCC1=CC(=O)N(C(CC)C(N)=O)C1
InChIInChI=1S/C11H18N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h6,9H,3-5,7H2,1-2H3,(H2,12,15)
InChIKeyIQLREUGNYAURPM-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.82
Rot. Bonds5

About 2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide

2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide (PubChem CID 23531064) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide.

Molecular Properties

Compound Name2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide
PubChem CID23531064
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide
SMILESCCCC1=CC(=O)N(C(CC)C(N)=O)C1
InChIInChI=1S/C11H18N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h6,9H,3-5,7H2,1-2H3,(H2,12,15)
InChIKeyIQLREUGNYAURPM-UHFFFAOYSA-N
XLogP0.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide?
The IUPAC name of 2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide (CID 23531064) is 2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide.
What is the SMILES notation for 2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide?
The canonical SMILES for 2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide is CCCC1=CC(=O)N(C(CC)C(N)=O)C1.
What is the InChIKey of 2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide?
The InChIKey is IQLREUGNYAURPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h6,9H,3-5,7H2,1-2H3,(H2,12,15).
What are the key properties of 2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide?
2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide is sourced from PubChem (CID 23531064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).