(7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one

C12H14N2O — CID 154993875

IUPAC(7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one
SMILESN[C@@H]1C(c2ccccc2)NC(=O)C12CC2
InChIInChI=1S/C12H14N2O/c13-10-9(8-4-2-1-3-5-8)14-11(15)12(10)6-7-12/h1-5,9-10H,6-7,13H2,(H,14,15)/t9?,10-/m1/s1
InChIKeyAXFFWRPEVYMNID-QVDQXJPCSA-N
MW202.26 g/mol
LogP0.96
Rot. Bonds1

About (7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one

(7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one (PubChem CID 154993875) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one.

Molecular Properties

Compound Name(7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one
PubChem CID154993875
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one
SMILESN[C@@H]1C(c2ccccc2)NC(=O)C12CC2
InChIInChI=1S/C12H14N2O/c13-10-9(8-4-2-1-3-5-8)14-11(15)12(10)6-7-12/h1-5,9-10H,6-7,13H2,(H,14,15)/t9?,10-/m1/s1
InChIKeyAXFFWRPEVYMNID-QVDQXJPCSA-N
XLogP0.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-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 (7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one?
The IUPAC name of (7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one (CID 154993875) is (7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one.
What is the SMILES notation for (7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one?
The canonical SMILES for (7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one is N[C@@H]1C(c2ccccc2)NC(=O)C12CC2.
What is the InChIKey of (7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one?
The InChIKey is AXFFWRPEVYMNID-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H14N2O/c13-10-9(8-4-2-1-3-5-8)14-11(15)12(10)6-7-12/h1-5,9-10H,6-7,13H2,(H,14,15)/t9?,10-/m1/s1.
What are the key properties of (7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one?
(7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one has a molecular weight of 202.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one is sourced from PubChem (CID 154993875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).