methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate

C15H25NO3 — CID 79919280

IUPACmethyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-18-14(17)13-5-4-9-16(13)12-6-10-19-15(11-12)7-2-3-8-15/h12-13H,2-11H2,1H3
InChIKeyXDQJKIJWMAUUGS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.12
Rot. Bonds2

About methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate

methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate (PubChem CID 79919280) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate
PubChem CID79919280
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namemethyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-18-14(17)13-5-4-9-16(13)12-6-10-19-15(11-12)7-2-3-8-15/h12-13H,2-11H2,1H3
InChIKeyXDQJKIJWMAUUGS-UHFFFAOYSA-N
XLogP2.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate (CID 79919280) is methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C1CCOC2(CCCC2)C1.
What is the InChIKey of methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate?
The InChIKey is XDQJKIJWMAUUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-18-14(17)13-5-4-9-16(13)12-6-10-19-15(11-12)7-2-3-8-15/h12-13H,2-11H2,1H3.
What are the key properties of methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate?
methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 79919280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).