2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione

C14H16N2O2 — CID 43381801

IUPAC2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESNc1cccc(N2C(=O)CC3(CCCC3)C2=O)c1
InChIInChI=1S/C14H16N2O2/c15-10-4-3-5-11(8-10)16-12(17)9-14(13(16)18)6-1-2-7-14/h3-5,8H,1-2,6-7,9,15H2
InChIKeyKTFPWRGUBKCAEK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.09
Rot. Bonds1

About 2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 43381801) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID43381801
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESNc1cccc(N2C(=O)CC3(CCCC3)C2=O)c1
InChIInChI=1S/C14H16N2O2/c15-10-4-3-5-11(8-10)16-12(17)9-14(13(16)18)6-1-2-7-14/h3-5,8H,1-2,6-7,9,15H2
InChIKeyKTFPWRGUBKCAEK-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385974
3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzonitrile
CID 43385996
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde
CID 106913703
2-(3-ethynylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 60977285
2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione
CID 11673993
2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 43653750
7-(3-aminophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81166900
2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437101
4-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzene-1,2-dicarbonitrile
CID 107796089
2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione
CID 118741544
2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107612856
2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 64793674

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 43381801) is 2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione is Nc1cccc(N2C(=O)CC3(CCCC3)C2=O)c1.
What is the InChIKey of 2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is KTFPWRGUBKCAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-10-4-3-5-11(8-10)16-12(17)9-14(13(16)18)6-1-2-7-14/h3-5,8H,1-2,6-7,9,15H2.
What are the key properties of 2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 244.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 43381801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).