2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide

C15H20N2O2 — CID 166291883

IUPAC2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide
SMILESO=C(NC1CCCC2(CCC2)C1)C(=O)c1ccc[nH]1
InChIInChI=1S/C15H20N2O2/c18-13(12-5-2-9-16-12)14(19)17-11-4-1-6-15(10-11)7-3-8-15/h2,5,9,11,16H,1,3-4,6-8,10H2,(H,17,19)
InChIKeyRETZVDMNMSWCAH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.43
Rot. Bonds3

About 2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide

2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide (PubChem CID 166291883) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide.

Molecular Properties

Compound Name2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide
PubChem CID166291883
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide
SMILESO=C(NC1CCCC2(CCC2)C1)C(=O)c1ccc[nH]1
InChIInChI=1S/C15H20N2O2/c18-13(12-5-2-9-16-12)14(19)17-11-4-1-6-15(10-11)7-3-8-15/h2,5,9,11,16H,1,3-4,6-8,10H2,(H,17,19)
InChIKeyRETZVDMNMSWCAH-UHFFFAOYSA-N
XLogP2.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide?
The IUPAC name of 2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide (CID 166291883) is 2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide.
What is the SMILES notation for 2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide?
The canonical SMILES for 2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide is O=C(NC1CCCC2(CCC2)C1)C(=O)c1ccc[nH]1.
What is the InChIKey of 2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide?
The InChIKey is RETZVDMNMSWCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-13(12-5-2-9-16-12)14(19)17-11-4-1-6-15(10-11)7-3-8-15/h2,5,9,11,16H,1,3-4,6-8,10H2,(H,17,19).
What are the key properties of 2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide?
2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide has a molecular weight of 260.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(1H-pyrrol-2-yl)-N-spiro[3.5]nonan-8-ylacetamide is sourced from PubChem (CID 166291883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).