(1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one

C17H19NO2 — CID 58807843

IUPAC(1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one
SMILESO=C1C2CC3(CC3)C[C@@H]2C2COC(c3ccccc3)N12
InChIInChI=1S/C17H19NO2/c19-15-13-9-17(6-7-17)8-12(13)14-10-20-16(18(14)15)11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13?,14?,16?/m0/s1
InChIKeyJJUMUPUULUQELU-BAYAOMGESA-N
MW269.34 g/mol
LogP2.73
Rot. Bonds1

About (1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one

(1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one (PubChem CID 58807843) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one.

Molecular Properties

Compound Name(1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one
PubChem CID58807843
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one
SMILESO=C1C2CC3(CC3)C[C@@H]2C2COC(c3ccccc3)N12
InChIInChI=1S/C17H19NO2/c19-15-13-9-17(6-7-17)8-12(13)14-10-20-16(18(14)15)11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13?,14?,16?/m0/s1
InChIKeyJJUMUPUULUQELU-BAYAOMGESA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one 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 (1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one?
The IUPAC name of (1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one (CID 58807843) is (1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one.
What is the SMILES notation for (1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one?
The canonical SMILES for (1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one is O=C1C2CC3(CC3)C[C@@H]2C2COC(c3ccccc3)N12.
What is the InChIKey of (1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one?
The InChIKey is JJUMUPUULUQELU-BAYAOMGESA-N. The full InChI is InChI=1S/C17H19NO2/c19-15-13-9-17(6-7-17)8-12(13)14-10-20-16(18(14)15)11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13?,14?,16?/m0/s1.
What are the key properties of (1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one?
(1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one has a molecular weight of 269.34 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-phenylspiro[4-oxa-6-azatricyclo[6.3.0.02,6]undecane-10,1'-cyclopropane]-7-one is sourced from PubChem (CID 58807843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).