1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one

C16H19NO3 — CID 79619363

IUPAC1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one
SMILESO=C1CCCC(Oc2ccc(N3CCCC3=O)cc2)C1
InChIInChI=1S/C16H19NO3/c18-13-3-1-4-15(11-13)20-14-8-6-12(7-9-14)17-10-2-5-16(17)19/h6-9,15H,1-5,10-11H2
InChIKeyFTNODYOBNLMYAO-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.70
Rot. Bonds3

About 1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one

1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one (PubChem CID 79619363) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one
PubChem CID79619363
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one
SMILESO=C1CCCC(Oc2ccc(N3CCCC3=O)cc2)C1
InChIInChI=1S/C16H19NO3/c18-13-3-1-4-15(11-13)20-14-8-6-12(7-9-14)17-10-2-5-16(17)19/h6-9,15H,1-5,10-11H2
InChIKeyFTNODYOBNLMYAO-UHFFFAOYSA-N
XLogP2.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 167376306
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-(4-aminophenyl)piperidin-2-one
CID 11458178
3-(3-iodophenoxy)cyclohexan-1-one
CID 79618708
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one
CID 173299510
3-(3-methoxyphenoxy)cyclohexan-1-one
CID 79618587
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-(4-aminophenyl)azepan-2-one
CID 58962781
1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
CID 82513628
3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one
CID 79619017
(3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide
CID 139010910

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one (CID 79619363) is 1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one is O=C1CCCC(Oc2ccc(N3CCCC3=O)cc2)C1.
What is the InChIKey of 1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one?
The InChIKey is FTNODYOBNLMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-13-3-1-4-15(11-13)20-14-8-6-12(7-9-14)17-10-2-5-16(17)19/h6-9,15H,1-5,10-11H2.
What are the key properties of 1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one?
1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one is sourced from PubChem (CID 79619363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).