7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]

C15H19NO4 — CID 139599963

IUPAC7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]
SMILESc1ccc(N2COOC3(CC4CCC3C4)OOC2)cc1
InChIInChI=1S/C15H19NO4/c1-2-4-14(5-3-1)16-10-17-19-15(20-18-11-16)9-12-6-7-13(15)8-12/h1-5,12-13H,6-11H2
InChIKeyOWDCBOWLVCRAMA-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.83
Rot. Bonds1

About 7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]

7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane] (PubChem CID 139599963) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]
PubChem CID139599963
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]
SMILESc1ccc(N2COOC3(CC4CCC3C4)OOC2)cc1
InChIInChI=1S/C15H19NO4/c1-2-4-14(5-3-1)16-10-17-19-15(20-18-11-16)9-12-6-7-13(15)8-12/h1-5,12-13H,6-11H2
InChIKeyOWDCBOWLVCRAMA-UHFFFAOYSA-N
XLogP2.83
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane] 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 7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]?
The IUPAC name of 7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane] (CID 139599963) is 7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane].
What is the SMILES notation for 7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]?
The canonical SMILES for 7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane] is c1ccc(N2COOC3(CC4CCC3C4)OOC2)cc1.
What is the InChIKey of 7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]?
The InChIKey is OWDCBOWLVCRAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-4-14(5-3-1)16-10-17-19-15(20-18-11-16)9-12-6-7-13(15)8-12/h1-5,12-13H,6-11H2.
What are the key properties of 7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]?
7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane] has a molecular weight of 277.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylspiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 139599963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).