1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine

C15H25NO — CID 58531218

IUPAC1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine
SMILESCC1=CCC2(CCCCC2)C(N2CCCC2)O1
InChIInChI=1S/C15H25NO/c1-13-7-10-15(8-3-2-4-9-15)14(17-13)16-11-5-6-12-16/h7,14H,2-6,8-12H2,1H3
InChIKeyLPUCYJCQIMMXJO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.68
Rot. Bonds1

About 1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine

1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine (PubChem CID 58531218) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine
PubChem CID58531218
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine
SMILESCC1=CCC2(CCCCC2)C(N2CCCC2)O1
InChIInChI=1S/C15H25NO/c1-13-7-10-15(8-3-2-4-9-15)14(17-13)16-11-5-6-12-16/h7,14H,2-6,8-12H2,1H3
InChIKeyLPUCYJCQIMMXJO-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine?
The IUPAC name of 1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine (CID 58531218) is 1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine.
What is the SMILES notation for 1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine?
The canonical SMILES for 1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine is CC1=CCC2(CCCCC2)C(N2CCCC2)O1.
What is the InChIKey of 1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine?
The InChIKey is LPUCYJCQIMMXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13-7-10-15(8-3-2-4-9-15)14(17-13)16-11-5-6-12-16/h7,14H,2-6,8-12H2,1H3.
What are the key properties of 1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine?
1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine has a molecular weight of 235.37 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-oxaspiro[5.5]undec-3-en-1-yl)pyrrolidine is sourced from PubChem (CID 58531218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).