1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole

C15H22N2O — CID 152733169

IUPAC1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole
SMILESC=CCC1(n2cccn2)CCCC2(CCCO2)C1
InChIInChI=1S/C15H22N2O/c1-2-6-14(17-11-5-10-16-17)7-3-8-15(13-14)9-4-12-18-15/h2,5,10-11H,1,3-4,6-9,12-13H2
InChIKeyZYAVNAATHVUQGF-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.28
Rot. Bonds3

About 1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole

1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole (PubChem CID 152733169) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole.

Molecular Properties

Compound Name1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole
PubChem CID152733169
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole
SMILESC=CCC1(n2cccn2)CCCC2(CCCO2)C1
InChIInChI=1S/C15H22N2O/c1-2-6-14(17-11-5-10-16-17)7-3-8-15(13-14)9-4-12-18-15/h2,5,10-11H,1,3-4,6-9,12-13H2
InChIKeyZYAVNAATHVUQGF-UHFFFAOYSA-N
XLogP3.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole 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-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole?
The IUPAC name of 1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole (CID 152733169) is 1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole.
What is the SMILES notation for 1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole?
The canonical SMILES for 1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole is C=CCC1(n2cccn2)CCCC2(CCCO2)C1.
What is the InChIKey of 1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole?
The InChIKey is ZYAVNAATHVUQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-6-14(17-11-5-10-16-17)7-3-8-15(13-14)9-4-12-18-15/h2,5,10-11H,1,3-4,6-9,12-13H2.
What are the key properties of 1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole?
1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole has a molecular weight of 246.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole is sourced from PubChem (CID 152733169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).