3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one

C15H16Cl2N2O — CID 22428749

IUPAC3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1CCC2(CC1)N=C(c1ccc(Cl)c(Cl)c1)C(=O)N2
InChIInChI=1S/C15H16Cl2N2O/c1-9-4-6-15(7-5-9)18-13(14(20)19-15)10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3,(H,19,20)
InChIKeyMCVPJZAXPXGCBS-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.82
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one

3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 22428749) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one
PubChem CID22428749
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1CCC2(CC1)N=C(c1ccc(Cl)c(Cl)c1)C(=O)N2
InChIInChI=1S/C15H16Cl2N2O/c1-9-4-6-15(7-5-9)18-13(14(20)19-15)10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3,(H,19,20)
InChIKeyMCVPJZAXPXGCBS-UHFFFAOYSA-N
XLogP3.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
CID 3241514
5-(2,4-dichlorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazol-4-one
CID 3237963
5-(4-chlorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazol-4-one
CID 3240911
N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide
CID 12044450
[3-Cyclopentyl-2-(3,4-dichloro-phenyl)-propionyl]-urea
CID 18626611
N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide
CID 18626649
3-(3,4-Dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
CID 22428750
8-Tert-butyl-3-(3-chloro-5-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 70900109
8-Tert-butyl-3-(3-chloro-2-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 90740000
3-(4-Chlorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22428571
3-(4-Chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
CID 22428572
3-(3,4-Dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
CID 22428747

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one (CID 22428749) is 3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one is CC1CCC2(CC1)N=C(c1ccc(Cl)c(Cl)c1)C(=O)N2.
What is the InChIKey of 3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is MCVPJZAXPXGCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-9-4-6-15(7-5-9)18-13(14(20)19-15)10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3,(H,19,20).
What are the key properties of 3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one?
3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 311.21 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 22428749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).