2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane

C19H25ClN2O2 — CID 143400887

IUPAC2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane
SMILESCC.CC(=O)CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2
InChIInChI=1S/C17H19ClN2O2.C2H6/c1-12(21)11-20-16(22)15(13-5-7-14(18)8-6-13)19-17(20)9-3-2-4-10-17;1-2/h5-8H,2-4,9-11H2,1H3;1-2H3
InChIKeyBURXJHLTEYUUSZ-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.25
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane

2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane (PubChem CID 143400887) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane
PubChem CID143400887
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane
SMILESCC.CC(=O)CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2
InChIInChI=1S/C17H19ClN2O2.C2H6/c1-12(21)11-20-16(22)15(13-5-7-14(18)8-6-13)19-17(20)9-3-2-4-10-17;1-2/h5-8H,2-4,9-11H2,1H3;1-2H3
InChIKeyBURXJHLTEYUUSZ-UHFFFAOYSA-N
XLogP4.25
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane?
The IUPAC name of 2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane (CID 143400887) is 2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane?
The canonical SMILES for 2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane is CC.CC(=O)CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2.
What is the InChIKey of 2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane?
The InChIKey is BURXJHLTEYUUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2.C2H6/c1-12(21)11-20-16(22)15(13-5-7-14(18)8-6-13)19-17(20)9-3-2-4-10-17;1-2/h5-8H,2-4,9-11H2,1H3;1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane?
2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane has a molecular weight of 348.87 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane is sourced from PubChem (CID 143400887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).