(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate

C16H20N2O4 — CID 71938043

IUPAC(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
SMILESCC(OC(=O)c1cc2c([nH]c1=O)CCC2)C(=O)N1CCCC1
InChIInChI=1S/C16H20N2O4/c1-10(15(20)18-7-2-3-8-18)22-16(21)12-9-11-5-4-6-13(11)17-14(12)19/h9-10H,2-8H2,1H3,(H,17,19)
InChIKeyGDXFWNJFPZHARD-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.03
Rot. Bonds3

About (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate (PubChem CID 71938043) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
PubChem CID71938043
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
SMILESCC(OC(=O)c1cc2c([nH]c1=O)CCC2)C(=O)N1CCCC1
InChIInChI=1S/C16H20N2O4/c1-10(15(20)18-7-2-3-8-18)22-16(21)12-9-11-5-4-6-13(11)17-14(12)19/h9-10H,2-8H2,1H3,(H,17,19)
InChIKeyGDXFWNJFPZHARD-UHFFFAOYSA-N
XLogP1.03
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate with MolForge

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Related Compounds

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392603
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 26008623
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507662
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate
CID 94172003
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 55449701
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8820686
3-(1,4-diazepane-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119418144
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate
CID 60730477
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-amino-5-nitrobenzoate
CID 25328012
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 7993943
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate
CID 7950325

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate?
The IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate (CID 71938043) is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate.
What is the SMILES notation for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate?
The canonical SMILES for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate is CC(OC(=O)c1cc2c([nH]c1=O)CCC2)C(=O)N1CCCC1.
What is the InChIKey of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate?
The InChIKey is GDXFWNJFPZHARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(15(20)18-7-2-3-8-18)22-16(21)12-9-11-5-4-6-13(11)17-14(12)19/h9-10H,2-8H2,1H3,(H,17,19).
What are the key properties of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate?
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate is sourced from PubChem (CID 71938043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).