3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione

C15H15Cl2NO4 — CID 91417294

IUPAC3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)OC(=O)C(c1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C15H15Cl2NO4/c1-21-18-6-4-15(5-7-18)13(19)12(14(20)22-15)9-2-3-10(16)11(17)8-9/h2-3,8,12H,4-7H2,1H3
InChIKeyUPDISXRMINWBIK-UHFFFAOYSA-N
MW344.19 g/mol
LogP2.60
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione

3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione (PubChem CID 91417294) has the molecular formula C15H15Cl2NO4 and a molecular weight of 344.19 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione
PubChem CID91417294
Molecular FormulaC15H15Cl2NO4
Molecular Weight344.19 g/mol
Exact Mass343.04
IUPAC Name3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)OC(=O)C(c1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C15H15Cl2NO4/c1-21-18-6-4-15(5-7-18)13(19)12(14(20)22-15)9-2-3-10(16)11(17)8-9/h2-3,8,12H,4-7H2,1H3
InChIKeyUPDISXRMINWBIK-UHFFFAOYSA-N
XLogP2.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 91251101
8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 90771899
8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 68774668
8-chloro-1'-methoxyspiro[4H-indeno[1,2-c]furan-3,4'-piperidine]-1-one
CID 90987997
4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine
CID 141087893
3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 59584769
3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one
CID 82300880
2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine
CID 28364
2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
CID 120988781
3-(2,4-dichlorophenyl)-8-(2,2,2-trifluoroethoxy)-1-oxaspiro[4.5]decane-2,4-dione
CID 68574440
(4S)-4-(3,4-dichlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186417
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione (CID 91417294) is 3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione is CON1CCC2(CC1)OC(=O)C(c1ccc(Cl)c(Cl)c1)C2=O.
What is the InChIKey of 3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The InChIKey is UPDISXRMINWBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO4/c1-21-18-6-4-15(5-7-18)13(19)12(14(20)22-15)9-2-3-10(16)11(17)8-9/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione has a molecular weight of 344.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 91417294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).