6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one

C12H15N3O — CID 105471201

IUPAC6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one
SMILESNc1cccc(N2CCC3(CC3)NC2=O)c1
InChIInChI=1S/C12H15N3O/c13-9-2-1-3-10(8-9)15-7-6-12(4-5-12)14-11(15)16/h1-3,8H,4-7,13H2,(H,14,16)
InChIKeyJKZLUVATOYMMKL-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.72
Rot. Bonds1

About 6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one

6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one (PubChem CID 105471201) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one
PubChem CID105471201
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one
SMILESNc1cccc(N2CCC3(CC3)NC2=O)c1
InChIInChI=1S/C12H15N3O/c13-9-2-1-3-10(8-9)15-7-6-12(4-5-12)14-11(15)16/h1-3,8H,4-7,13H2,(H,14,16)
InChIKeyJKZLUVATOYMMKL-UHFFFAOYSA-N
XLogP1.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one
CID 105471206
3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid
CID 105490516
7-(3-aminophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81166900
1-(3-aminophenyl)pyrrolidin-3-one
CID 115014711
3-(4-fluoro-4-methylazepan-1-yl)aniline
CID 115033481
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline
CID 115019869
4-(3-aminophenyl)-6-oxa-4-azaspiro[2.5]octan-5-one
CID 105472267
2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43381801
3-(3-aminophenyl)-1-(3-chlorophenyl)imidazolidine-2,4-dione
CID 60835954
3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 28799981
3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline
CID 130865447

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one?
The IUPAC name of 6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one (CID 105471201) is 6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one.
What is the SMILES notation for 6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one?
The canonical SMILES for 6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one is Nc1cccc(N2CCC3(CC3)NC2=O)c1.
What is the InChIKey of 6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one?
The InChIKey is JKZLUVATOYMMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-9-2-1-3-10(8-9)15-7-6-12(4-5-12)14-11(15)16/h1-3,8H,4-7,13H2,(H,14,16).
What are the key properties of 6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one?
6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one is sourced from PubChem (CID 105471201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).