1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one

C14H19NO2 — CID 167376306

IUPAC1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
SMILESCC(C)(C)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-12-8-6-11(7-9-12)15-10-4-5-13(15)16/h6-9H,4-5,10H2,1-3H3
InChIKeyZKPMASAKQFFWIZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.99
Rot. Bonds2

About 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one

1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one (PubChem CID 167376306) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
PubChem CID167376306
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
SMILESCC(C)(C)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-12-8-6-11(7-9-12)15-10-4-5-13(15)16/h6-9H,4-5,10H2,1-3H3
InChIKeyZKPMASAKQFFWIZ-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one
CID 173299510
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
4-chloro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 168687248
1-(4-methylsulfinylphenyl)pyrrolidin-2-one
CID 69051347
naphthalen-2-yl 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 52769070
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521
1-(4-aminophenyl)piperidin-2-one
CID 11458178
4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43351519
1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one
CID 79619363

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one (CID 167376306) is 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one is CC(C)(C)Oc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one?
The InChIKey is ZKPMASAKQFFWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)17-12-8-6-11(7-9-12)15-10-4-5-13(15)16/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one?
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 167376306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).