(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-5-azaspiro[2.4]heptane
CID 84654707
3-(5-azaspiro[2.4]heptan-2-yl)phenol
CID 115017881
(2S)-2-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptane
CID 139543309
7-phenyl-2-azaspiro[3.3]heptane
CID 121206984
6-phenyl-2-thia-8-azaspiro[4.5]decane
CID 79309118
(4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one
CID 86332310
(4R)-3,3-difluoro-4-phenylpiperidine
CID 97032408
4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 123134777
5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane
CID 79311438
6-phenyl-1,9-diazaspiro[4.5]decane
CID 91595107
3-methyl-3-phenylpyrrolidine
CID 21098616
4-chloro-4-methyl-3-phenylpiperidine
CID 173316936

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).