tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate

C19H31NO3 — CID 104978890

IUPACtert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1CC2(CCCC2)CCC1=O
InChIInChI=1S/C19H31NO3/c1-18(2,3)23-17(22)20-12-6-7-15(20)14-13-19(9-4-5-10-19)11-8-16(14)21/h14-15H,4-13H2,1-3H3
InChIKeyYJVXZUGPJVXFHD-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.32
Rot. Bonds1

About tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate (PubChem CID 104978890) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate
PubChem CID104978890
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Nametert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1CC2(CCCC2)CCC1=O
InChIInChI=1S/C19H31NO3/c1-18(2,3)23-17(22)20-12-6-7-15(20)14-13-19(9-4-5-10-19)11-8-16(14)21/h14-15H,4-13H2,1-3H3
InChIKeyYJVXZUGPJVXFHD-UHFFFAOYSA-N
XLogP4.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate (CID 104978890) is tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C1CC2(CCCC2)CCC1=O.
What is the InChIKey of tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate?
The InChIKey is YJVXZUGPJVXFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-18(2,3)23-17(22)20-12-6-7-15(20)14-13-19(9-4-5-10-19)11-8-16(14)21/h14-15H,4-13H2,1-3H3.
What are the key properties of tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate has a molecular weight of 321.46 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(8-oxospiro[4.5]decan-9-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 104978890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).