6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]

C15H19NO — CID 3107523

IUPAC6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]
SMILESc1ccc(C2CC3CC4(CCCC4)N2O3)cc1
InChIInChI=1S/C15H19NO/c1-2-6-12(7-3-1)14-10-13-11-15(16(14)17-13)8-4-5-9-15/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyQMXWPGNYNKFWCU-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.45
Rot. Bonds1

About 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]

6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane] (PubChem CID 3107523) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane].

Molecular Properties

Compound Name6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]
PubChem CID3107523
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]
SMILESc1ccc(C2CC3CC4(CCCC4)N2O3)cc1
InChIInChI=1S/C15H19NO/c1-2-6-12(7-3-1)14-10-13-11-15(16(14)17-13)8-4-5-9-15/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyQMXWPGNYNKFWCU-UHFFFAOYSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]?
The IUPAC name of 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane] (CID 3107523) is 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane].
What is the SMILES notation for 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]?
The canonical SMILES for 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane] is c1ccc(C2CC3CC4(CCCC4)N2O3)cc1.
What is the InChIKey of 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]?
The InChIKey is QMXWPGNYNKFWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-6-12(7-3-1)14-10-13-11-15(16(14)17-13)8-4-5-9-15/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]?
6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane] has a molecular weight of 229.32 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane] is sourced from PubChem (CID 3107523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).