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

C18H25NO2 — CID 59541880

IUPAC1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine
SMILESc1cc(N2CCCC2)ccc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C18H25NO2/c1-2-12-19(11-1)17-5-3-15(4-6-17)16-7-9-18(10-8-16)20-13-14-21-18/h3-6,16H,1-2,7-14H2
InChIKeyQOWCXTDZSXQMTI-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.69
Rot. Bonds2

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

1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine (PubChem CID 59541880) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine
PubChem CID59541880
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine
SMILESc1cc(N2CCCC2)ccc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C18H25NO2/c1-2-12-19(11-1)17-5-3-15(4-6-17)16-7-9-18(10-8-16)20-13-14-21-18/h3-6,16H,1-2,7-14H2
InChIKeyQOWCXTDZSXQMTI-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine?
The IUPAC name of 1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine (CID 59541880) is 1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine?
The canonical SMILES for 1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine is c1cc(N2CCCC2)ccc1C1CCC2(CC1)OCCO2.
What is the InChIKey of 1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine?
The InChIKey is QOWCXTDZSXQMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-12-19(11-1)17-5-3-15(4-6-17)16-7-9-18(10-8-16)20-13-14-21-18/h3-6,16H,1-2,7-14H2.
What are the key properties of 1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine?
1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine has a molecular weight of 287.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine is sourced from PubChem (CID 59541880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).