5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

C13H17NO2 — CID 15817594

IUPAC5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)Oc1ccc(C2CCC(=O)N2)cc1
InChIInChI=1S/C13H17NO2/c1-9(2)16-11-5-3-10(4-6-11)12-7-8-13(15)14-12/h3-6,9,12H,7-8H2,1-2H3,(H,14,15)
InChIKeyOIWDPTHCLZLGCN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.42
Rot. Bonds3

About 5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 15817594) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID15817594
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)Oc1ccc(C2CCC(=O)N2)cc1
InChIInChI=1S/C13H17NO2/c1-9(2)16-11-5-3-10(4-6-11)12-7-8-13(15)14-12/h3-6,9,12H,7-8H2,1-2H3,(H,14,15)
InChIKeyOIWDPTHCLZLGCN-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185268
(5R)-5-(4-fluorophenyl)pyrrolidin-2-one
CID 13293374
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
methyl 4-[(2R)-5-oxopyrrolidin-2-yl]benzoate
CID 164666440
5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66109178
5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693390
5-pyridin-4-ylpyrrolidin-2-one
CID 130009175
2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one
CID 81415345
ethane;4-(5-oxopyrrolidin-2-yl)benzonitrile
CID 143222280
3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
CID 79310291
4-(5-oxopyrrolidin-2-yl)benzoic acid
CID 126804612
(2R)-2-(4-propan-2-yloxyphenyl)piperazine
CID 95443937

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (CID 15817594) is 5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is CC(C)Oc1ccc(C2CCC(=O)N2)cc1.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is OIWDPTHCLZLGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)16-11-5-3-10(4-6-11)12-7-8-13(15)14-12/h3-6,9,12H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 15817594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).