(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane

C12H15N — CID 121315230

IUPAC(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane
SMILESc1ccc([C@H]2C[C@]23CCNC3)cc1
InChIInChI=1S/C12H15N/c1-2-4-10(5-3-1)11-8-12(11)6-7-13-9-12/h1-5,11,13H,6-9H2/t11-,12+/m1/s1
InChIKeyXZYJXQOXVPUKMX-NEPJUHHUSA-N
MW173.26 g/mol
LogP2.15
Rot. Bonds1

About (2R,3S)-2-phenyl-5-azaspiro[2.4]heptane

(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane (PubChem CID 121315230) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R,3S)-2-phenyl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane
PubChem CID121315230
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane
SMILESc1ccc([C@H]2C[C@]23CCNC3)cc1
InChIInChI=1S/C12H15N/c1-2-4-10(5-3-1)11-8-12(11)6-7-13-9-12/h1-5,11,13H,6-9H2/t11-,12+/m1/s1
InChIKeyXZYJXQOXVPUKMX-NEPJUHHUSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-phenyl-5-azaspiro[2.4]heptane?
The IUPAC name of (2R,3S)-2-phenyl-5-azaspiro[2.4]heptane (CID 121315230) is (2R,3S)-2-phenyl-5-azaspiro[2.4]heptane.
What is the SMILES notation for (2R,3S)-2-phenyl-5-azaspiro[2.4]heptane?
The canonical SMILES for (2R,3S)-2-phenyl-5-azaspiro[2.4]heptane is c1ccc([C@H]2C[C@]23CCNC3)cc1.
What is the InChIKey of (2R,3S)-2-phenyl-5-azaspiro[2.4]heptane?
The InChIKey is XZYJXQOXVPUKMX-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-10(5-3-1)11-8-12(11)6-7-13-9-12/h1-5,11,13H,6-9H2/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-2-phenyl-5-azaspiro[2.4]heptane?
(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane has a molecular weight of 173.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-phenyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 121315230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).