9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione

C15H16ClNO2 — CID 103565611

IUPAC9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
SMILESCC1CC2(CC(=O)NC(=O)C2c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H16ClNO2/c1-9-6-15(7-9)8-12(18)17-14(19)13(15)10-2-4-11(16)5-3-10/h2-5,9,13H,6-8H2,1H3,(H,17,18,19)
InChIKeyNAOCICLXXPFOPG-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.89
Rot. Bonds1

About 9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione

9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione (PubChem CID 103565611) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione.

Molecular Properties

Compound Name9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
PubChem CID103565611
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
SMILESCC1CC2(CC(=O)NC(=O)C2c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H16ClNO2/c1-9-6-15(7-9)8-12(18)17-14(19)13(15)10-2-4-11(16)5-3-10/h2-5,9,13H,6-8H2,1H3,(H,17,18,19)
InChIKeyNAOCICLXXPFOPG-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-9-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79430176
5-(4-bromophenyl)-9-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79429863
6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione
CID 79956981
9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
CID 103565591
6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
CID 79435278
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
3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 79429755
9-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione
CID 106824849
6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione
CID 79320778
9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione
CID 106824856
2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione
CID 81472867

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
The IUPAC name of 9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione (CID 103565611) is 9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione.
What is the SMILES notation for 9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
The canonical SMILES for 9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione is CC1CC2(CC(=O)NC(=O)C2c2ccc(Cl)cc2)C1.
What is the InChIKey of 9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
The InChIKey is NAOCICLXXPFOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-9-6-15(7-9)8-12(18)17-14(19)13(15)10-2-4-11(16)5-3-10/h2-5,9,13H,6-8H2,1H3,(H,17,18,19).
What are the key properties of 9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione has a molecular weight of 277.75 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione is sourced from PubChem (CID 103565611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).