5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone

C13H13Cl2NO2 — CID 155556960

IUPAC5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC2(CC2)C1
InChIInChI=1S/C13H13Cl2NO2/c14-8-5-9(15)11(10(17)6-8)12(18)16-4-3-13(7-16)1-2-13/h5-6,17H,1-4,7H2
InChIKeyRPRJEOXZDGCCRL-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.33
Rot. Bonds1

About 5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone

5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone (PubChem CID 155556960) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
PubChem CID155556960
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC2(CC2)C1
InChIInChI=1S/C13H13Cl2NO2/c14-8-5-9(15)11(10(17)6-8)12(18)16-4-3-13(7-16)1-2-13/h5-6,17H,1-4,7H2
InChIKeyRPRJEOXZDGCCRL-UHFFFAOYSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone 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 5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
The IUPAC name of 5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone (CID 155556960) is 5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone.
What is the SMILES notation for 5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
The canonical SMILES for 5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone is O=C(c1c(O)cc(Cl)cc1Cl)N1CCC2(CC2)C1.
What is the InChIKey of 5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
The InChIKey is RPRJEOXZDGCCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c14-8-5-9(15)11(10(17)6-8)12(18)16-4-3-13(7-16)1-2-13/h5-6,17H,1-4,7H2.
What are the key properties of 5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone has a molecular weight of 286.16 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 155556960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).