1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine

C18H25NO2 — CID 13345264

IUPAC1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine
SMILESc1ccc(C2(N3CCCC3)CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H25NO2/c1-2-6-16(7-3-1)17(19-12-4-5-13-19)8-10-18(11-9-17)20-14-15-21-18/h1-3,6-7H,4-5,8-15H2
InChIKeySXQMAUFVGCTTBZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.29
Rot. Bonds2

About 1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine

1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine (PubChem CID 13345264) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine.

Molecular Properties

Compound Name1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine
PubChem CID13345264
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine
SMILESc1ccc(C2(N3CCCC3)CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H25NO2/c1-2-6-16(7-3-1)17(19-12-4-5-13-19)8-10-18(11-9-17)20-14-15-21-18/h1-3,6-7H,4-5,8-15H2
InChIKeySXQMAUFVGCTTBZ-UHFFFAOYSA-N
XLogP3.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine?
The IUPAC name of 1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine (CID 13345264) is 1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine.
What is the SMILES notation for 1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine?
The canonical SMILES for 1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine is c1ccc(C2(N3CCCC3)CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine?
The InChIKey is SXQMAUFVGCTTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-6-16(7-3-1)17(19-12-4-5-13-19)8-10-18(11-9-17)20-14-15-21-18/h1-3,6-7H,4-5,8-15H2.
What are the key properties of 1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine?
1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine has a molecular weight of 287.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine is sourced from PubChem (CID 13345264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).