8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C17H21ClN2O2 — CID 167955837

IUPAC8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(=O)c1c(Cl)cccc1N1CCC2(CCN(C)C2=O)CC1
InChIInChI=1S/C17H21ClN2O2/c1-12(21)15-13(18)4-3-5-14(15)20-10-7-17(8-11-20)6-9-19(2)16(17)22/h3-5H,6-11H2,1-2H3
InChIKeyXPDLGOHEJHFLDK-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.99
Rot. Bonds2

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

8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 167955837) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID167955837
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(=O)c1c(Cl)cccc1N1CCC2(CCN(C)C2=O)CC1
InChIInChI=1S/C17H21ClN2O2/c1-12(21)15-13(18)4-3-5-14(15)20-10-7-17(8-11-20)6-9-19(2)16(17)22/h3-5H,6-11H2,1-2H3
InChIKeyXPDLGOHEJHFLDK-UHFFFAOYSA-N
XLogP2.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 167955837) is 8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CC(=O)c1c(Cl)cccc1N1CCC2(CCN(C)C2=O)CC1.
What is the InChIKey of 8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XPDLGOHEJHFLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-12(21)15-13(18)4-3-5-14(15)20-10-7-17(8-11-20)6-9-19(2)16(17)22/h3-5H,6-11H2,1-2H3.
What are the key properties of 8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 320.82 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 167955837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).