3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one

C14H13Cl2NO2 — CID 171483099

IUPAC3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one
SMILESO=C1NC2(CCCC2)C(O)=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO2/c15-8-3-4-9(10(16)7-8)11-12(18)14(17-13(11)19)5-1-2-6-14/h3-4,7,18H,1-2,5-6H2,(H,17,19)
InChIKeyUATUDRMTGZGVIE-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.71
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one

3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one (PubChem CID 171483099) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one
PubChem CID171483099
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one
SMILESO=C1NC2(CCCC2)C(O)=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO2/c15-8-3-4-9(10(16)7-8)11-12(18)14(17-13(11)19)5-1-2-6-14/h3-4,7,18H,1-2,5-6H2,(H,17,19)
InChIKeyUATUDRMTGZGVIE-UHFFFAOYSA-N
XLogP3.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one (CID 171483099) is 3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one is O=C1NC2(CCCC2)C(O)=C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one?
The InChIKey is UATUDRMTGZGVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c15-8-3-4-9(10(16)7-8)11-12(18)14(17-13(11)19)5-1-2-6-14/h3-4,7,18H,1-2,5-6H2,(H,17,19).
What are the key properties of 3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one?
3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one has a molecular weight of 298.17 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 171483099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).