3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one

C12H14N2O3 — CID 105494121

IUPAC3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one
SMILESNc1cccc(N2CC3(CCOC3)OC2=O)c1
InChIInChI=1S/C12H14N2O3/c13-9-2-1-3-10(6-9)14-7-12(17-11(14)15)4-5-16-8-12/h1-3,6H,4-5,7-8,13H2
InChIKeyONUDDHPJEYNUBC-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.38
Rot. Bonds1

About 3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one

3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one (PubChem CID 105494121) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one
PubChem CID105494121
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one
SMILESNc1cccc(N2CC3(CCOC3)OC2=O)c1
InChIInChI=1S/C12H14N2O3/c13-9-2-1-3-10(6-9)14-7-12(17-11(14)15)4-5-16-8-12/h1-3,6H,4-5,7-8,13H2
InChIKeyONUDDHPJEYNUBC-UHFFFAOYSA-N
XLogP1.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56773862
3-(4-aminophenyl)-1-oxa-3-azaspiro[4.4]nonan-2-one
CID 105490903
4-(3-aminophenyl)-6-oxa-4-azaspiro[2.5]octan-5-one
CID 105472267
7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one
CID 105471206
3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one
CID 105442058
2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
CID 152760313
3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067350
3-(3-aminophenyl)oxolan-3-ol
CID 105437970
2-(3-aminophenyl)-1,2-oxazolidin-3-one
CID 105437344
6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one
CID 105471201
(5S)-9-(4-benzyloxane-4-carbonyl)-3-(3-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124997373
3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one
CID 105458794

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one?
The IUPAC name of 3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one (CID 105494121) is 3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one is Nc1cccc(N2CC3(CCOC3)OC2=O)c1.
What is the InChIKey of 3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one?
The InChIKey is ONUDDHPJEYNUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-9-2-1-3-10(6-9)14-7-12(17-11(14)15)4-5-16-8-12/h1-3,6H,4-5,7-8,13H2.
What are the key properties of 3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one?
3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one has a molecular weight of 234.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 105494121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).