2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione

C14H15FN2O2 — CID 43437106

IUPAC2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESNc1cc(N2C(=O)CC3(CCCC3)C2=O)ccc1F
InChIInChI=1S/C14H15FN2O2/c15-10-4-3-9(7-11(10)16)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2
InChIKeyLRPWKIWVDIYQIQ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.23
Rot. Bonds1

About 2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 43437106) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID43437106
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESNc1cc(N2C(=O)CC3(CCCC3)C2=O)ccc1F
InChIInChI=1S/C14H15FN2O2/c15-10-4-3-9(7-11(10)16)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2
InChIKeyLRPWKIWVDIYQIQ-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 43437106) is 2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione is Nc1cc(N2C(=O)CC3(CCCC3)C2=O)ccc1F.
What is the InChIKey of 2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is LRPWKIWVDIYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-10-4-3-9(7-11(10)16)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2.
What are the key properties of 2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 262.28 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 43437106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).