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

C15H18Cl2N2O — CID 166265632

IUPAC8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)N1
InChIInChI=1S/C15H18Cl2N2O/c16-12-2-1-11(9-13(12)17)10-19-7-5-15(6-8-19)4-3-14(20)18-15/h1-2,9H,3-8,10H2,(H,18,20)
InChIKeyTZWDWVVFALYZPC-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.24
Rot. Bonds2

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

8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 166265632) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID166265632
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)N1
InChIInChI=1S/C15H18Cl2N2O/c16-12-2-1-11(9-13(12)17)10-19-7-5-15(6-8-19)4-3-14(20)18-15/h1-2,9H,3-8,10H2,(H,18,20)
InChIKeyTZWDWVVFALYZPC-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 166265632) is 8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)N1.
What is the InChIKey of 8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is TZWDWVVFALYZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-12-2-1-11(9-13(12)17)10-19-7-5-15(6-8-19)4-3-14(20)18-15/h1-2,9H,3-8,10H2,(H,18,20).
What are the key properties of 8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 313.23 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 166265632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).