9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione

C16H18ClNO3 — CID 106824856

IUPAC9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione
SMILESCCOC1CC2(CC(=O)NC(=O)C2c2ccccc2Cl)C1
InChIInChI=1S/C16H18ClNO3/c1-2-21-10-7-16(8-10)9-13(19)18-15(20)14(16)11-5-3-4-6-12(11)17/h3-6,10,14H,2,7-9H2,1H3,(H,18,19,20)
InChIKeyLTMZJDZXKLSVTF-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.66
Rot. Bonds3

About 9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione

9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione (PubChem CID 106824856) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione.

Molecular Properties

Compound Name9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione
PubChem CID106824856
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione
SMILESCCOC1CC2(CC(=O)NC(=O)C2c2ccccc2Cl)C1
InChIInChI=1S/C16H18ClNO3/c1-2-21-10-7-16(8-10)9-13(19)18-15(20)14(16)11-5-3-4-6-12(11)17/h3-6,10,14H,2,7-9H2,1H3,(H,18,19,20)
InChIKeyLTMZJDZXKLSVTF-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione
CID 79454345
5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one
CID 106824684
10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 79454503
9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione
CID 106824853
9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79424608
9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
CID 103565611
9-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione
CID 106824849
5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
CID 79454268
3-ethoxy-1,3-dihydroindol-2-one
CID 5206883
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252
ethyl (4R)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488606
3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
CID 79454418

Frequently Asked Questions

What is the IUPAC name of 9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione?
The IUPAC name of 9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione (CID 106824856) is 9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione.
What is the SMILES notation for 9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione?
The canonical SMILES for 9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione is CCOC1CC2(CC(=O)NC(=O)C2c2ccccc2Cl)C1.
What is the InChIKey of 9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione?
The InChIKey is LTMZJDZXKLSVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-2-21-10-7-16(8-10)9-13(19)18-15(20)14(16)11-5-3-4-6-12(11)17/h3-6,10,14H,2,7-9H2,1H3,(H,18,19,20).
What are the key properties of 9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione?
9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione has a molecular weight of 307.78 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione is sourced from PubChem (CID 106824856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).