3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one

C15H16Cl2N2O — CID 22428750

IUPAC3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
SMILESO=C1NC2(CCCCCC2)N=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c16-11-6-5-10(9-12(11)17)13-14(20)19-15(18-13)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,19,20)
InChIKeyADTDORFIXBSLNK-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.96
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one

3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 22428750) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
PubChem CID22428750
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
SMILESO=C1NC2(CCCCCC2)N=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c16-11-6-5-10(9-12(11)17)13-14(20)19-15(18-13)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,19,20)
InChIKeyADTDORFIXBSLNK-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one (CID 22428750) is 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one is O=C1NC2(CCCCCC2)N=C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is ADTDORFIXBSLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c16-11-6-5-10(9-12(11)17)13-14(20)19-15(18-13)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,19,20).
What are the key properties of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one?
3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 311.21 g/mol, XLogP of 3.96, 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)-1,4-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 22428750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).