2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one

C21H25NO3 — CID 163971145

IUPAC2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESO=C1CC2(CO1)CC(C(=O)N1CC3(CC[C@@H](c4ccccc4)C3)C1)C2
InChIInChI=1S/C21H25NO3/c23-18-11-21(14-25-18)9-17(10-21)19(24)22-12-20(13-22)7-6-16(8-20)15-4-2-1-3-5-15/h1-5,16-17H,6-14H2/t16-,17?,21?/m1/s1
InChIKeyKGTVQBMORWGNMU-ZGGTZUKQSA-N
MW339.44 g/mol
LogP3.13
Rot. Bonds2

About 2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one

2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one (PubChem CID 163971145) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one
PubChem CID163971145
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESO=C1CC2(CO1)CC(C(=O)N1CC3(CC[C@@H](c4ccccc4)C3)C1)C2
InChIInChI=1S/C21H25NO3/c23-18-11-21(14-25-18)9-17(10-21)19(24)22-12-20(13-22)7-6-16(8-20)15-4-2-1-3-5-15/h1-5,16-17H,6-14H2/t16-,17?,21?/m1/s1
InChIKeyKGTVQBMORWGNMU-ZGGTZUKQSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The IUPAC name of 2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one (CID 163971145) is 2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one.
What is the SMILES notation for 2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The canonical SMILES for 2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one is O=C1CC2(CO1)CC(C(=O)N1CC3(CC[C@@H](c4ccccc4)C3)C1)C2.
What is the InChIKey of 2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The InChIKey is KGTVQBMORWGNMU-ZGGTZUKQSA-N. The full InChI is InChI=1S/C21H25NO3/c23-18-11-21(14-25-18)9-17(10-21)19(24)22-12-20(13-22)7-6-16(8-20)15-4-2-1-3-5-15/h1-5,16-17H,6-14H2/t16-,17?,21?/m1/s1.
What are the key properties of 2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one?
2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one has a molecular weight of 339.44 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one is sourced from PubChem (CID 163971145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).