3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one

C13H11Cl2NO4 — CID 59945447

IUPAC3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(COCOC2)C(O)=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO4/c14-7-1-2-8(9(15)3-7)10-11(17)13(16-12(10)18)4-19-6-20-5-13/h1-3,17H,4-6H2,(H,16,18)
InChIKeyRKYGKVGNUVOVLB-UHFFFAOYSA-N
MW316.14 g/mol
LogP2.14
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one

3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 59945447) has the molecular formula C13H11Cl2NO4 and a molecular weight of 316.14 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID59945447
Molecular FormulaC13H11Cl2NO4
Molecular Weight316.14 g/mol
Exact Mass315.01
IUPAC Name3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(COCOC2)C(O)=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO4/c14-7-1-2-8(9(15)3-7)10-11(17)13(16-12(10)18)4-19-6-20-5-13/h1-3,17H,4-6H2,(H,16,18)
InChIKeyRKYGKVGNUVOVLB-UHFFFAOYSA-N
XLogP2.14
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one
CID 171483099
3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one
CID 143282222
5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one
CID 71047590
5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one
CID 54721470
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one
CID 67376522
4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
CID 67374497
3-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 67389923
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 59614606
5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one
CID 54718398
3-(2,4-dimethylphenyl)-4,8-dihydroxy-1-azaspiro[4.5]dec-3-en-2-one
CID 59076163
(3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one
CID 98041414

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one (CID 59945447) is 3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one is O=C1NC2(COCOC2)C(O)=C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is RKYGKVGNUVOVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4/c14-7-1-2-8(9(15)3-7)10-11(17)13(16-12(10)18)4-19-6-20-5-13/h1-3,17H,4-6H2,(H,16,18).
What are the key properties of 3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one?
3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 316.14 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 59945447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).