ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate

C13H20N2O3 — CID 146025945

IUPACethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate
SMILESCCOC(=O)[C@@H]1CN2C(=O)CCN2C12CCCC2
InChIInChI=1S/C13H20N2O3/c1-2-18-12(17)10-9-14-11(16)5-8-15(14)13(10)6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyXBCGOHFXMUKNAT-JTQLQIEISA-N
MW252.31 g/mol
LogP0.94
Rot. Bonds2

About ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate

ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate (PubChem CID 146025945) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate
PubChem CID146025945
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate
SMILESCCOC(=O)[C@@H]1CN2C(=O)CCN2C12CCCC2
InChIInChI=1S/C13H20N2O3/c1-2-18-12(17)10-9-14-11(16)5-8-15(14)13(10)6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyXBCGOHFXMUKNAT-JTQLQIEISA-N
XLogP0.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate with MolForge

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Related Compounds

ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate
CID 118738573
ethyl 4-ethyl-3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate
CID 165145411
diethyl 3-oxopyrrolidine-1,2-dicarboxylate
CID 15618374
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 1-tert-butyl-4-oxopiperidine-3-carboxylate
CID 13216310
ethyl 1-methyl-5-oxo-7-oxabicyclo[4.1.0]heptane-2-carboxylate
CID 13215574
ethyl 2-(2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylate
CID 85299400
ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate
CID 144539360
ethyl 3,7-dioxo-1,2,5,6,8,8a-hexahydroindolizine-8-carboxylate
CID 13179720
ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate
CID 4913249
ethyl (5S,7R,8E)-8-(hydroxymethylidene)-4,9-dioxospiro[4.5]decane-7-carboxylate
CID 177422910
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate?
The IUPAC name of ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate (CID 146025945) is ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate.
What is the SMILES notation for ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate?
The canonical SMILES for ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate is CCOC(=O)[C@@H]1CN2C(=O)CCN2C12CCCC2.
What is the InChIKey of ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate?
The InChIKey is XBCGOHFXMUKNAT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-18-12(17)10-9-14-11(16)5-8-15(14)13(10)6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate?
ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate is sourced from PubChem (CID 146025945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).