7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one

C12H15N3O — CID 105471206

IUPAC7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one
SMILESNc1cccc(N2CC3(CCC3)NC2=O)c1
InChIInChI=1S/C12H15N3O/c13-9-3-1-4-10(7-9)15-8-12(5-2-6-12)14-11(15)16/h1,3-4,7H,2,5-6,8,13H2,(H,14,16)
InChIKeyFNGMFBDDEYTHGO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.72
Rot. Bonds1

About 7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one

7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 105471206) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one
PubChem CID105471206
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one
SMILESNc1cccc(N2CC3(CCC3)NC2=O)c1
InChIInChI=1S/C12H15N3O/c13-9-3-1-4-10(7-9)15-8-12(5-2-6-12)14-11(15)16/h1,3-4,7H,2,5-6,8,13H2,(H,14,16)
InChIKeyFNGMFBDDEYTHGO-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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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one (CID 105471206) is 7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one is Nc1cccc(N2CC3(CCC3)NC2=O)c1.
What is the InChIKey of 7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is FNGMFBDDEYTHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-9-3-1-4-10(7-9)15-8-12(5-2-6-12)14-11(15)16/h1,3-4,7H,2,5-6,8,13H2,(H,14,16).
What are the key properties of 7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one?
7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-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 7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 105471206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).