2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C15H19ClN2O — CID 45074172

IUPAC2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccc(Cl)c2)CCC12CCCNC2
InChIInChI=1S/C15H19ClN2O/c16-13-4-1-3-12(9-13)10-18-8-6-15(14(18)19)5-2-7-17-11-15/h1,3-4,9,17H,2,5-8,10-11H2
InChIKeyMIKIXEXAOXDQTO-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.44
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 45074172) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID45074172
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccc(Cl)c2)CCC12CCCNC2
InChIInChI=1S/C15H19ClN2O/c16-13-4-1-3-12(9-13)10-18-8-6-15(14(18)19)5-2-7-17-11-15/h1,3-4,9,17H,2,5-8,10-11H2
InChIKeyMIKIXEXAOXDQTO-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 45074172) is 2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is O=C1N(Cc2cccc(Cl)c2)CCC12CCCNC2.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MIKIXEXAOXDQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-13-4-1-3-12(9-13)10-18-8-6-15(14(18)19)5-2-7-17-11-15/h1,3-4,9,17H,2,5-8,10-11H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 278.78 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 45074172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).