2-phenyl-5,7-diazaspiro[3.4]octan-6-one

C12H14N2O — CID 153298237

IUPAC2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESO=C1NCC2(CC(c3ccccc3)C2)N1
InChIInChI=1S/C12H14N2O/c15-11-13-8-12(14-11)6-10(7-12)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,14,15)
InChIKeyZATWVCZCUPBJAX-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.62
Rot. Bonds1

About 2-phenyl-5,7-diazaspiro[3.4]octan-6-one

2-phenyl-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 153298237) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-phenyl-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-phenyl-5,7-diazaspiro[3.4]octan-6-one
PubChem CID153298237
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESO=C1NCC2(CC(c3ccccc3)C2)N1
InChIInChI=1S/C12H14N2O/c15-11-13-8-12(14-11)6-10(7-12)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,14,15)
InChIKeyZATWVCZCUPBJAX-UHFFFAOYSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-phenyl-5,7-diazaspiro[3.4]octan-6-one (CID 153298237) is 2-phenyl-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-phenyl-5,7-diazaspiro[3.4]octan-6-one is O=C1NCC2(CC(c3ccccc3)C2)N1.
What is the InChIKey of 2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is ZATWVCZCUPBJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-11-13-8-12(14-11)6-10(7-12)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,14,15).
What are the key properties of 2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
2-phenyl-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 202.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 153298237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).