5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one

C15H21NO2 — CID 66108724

IUPAC5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCCC1NC(=O)CC1c1cccc(OC(C)C)c1
InChIInChI=1S/C15H21NO2/c1-4-14-13(9-15(17)16-14)11-6-5-7-12(8-11)18-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3,(H,16,17)
InChIKeyANNLVXLJOCBEPK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds4

About 5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one

5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 66108724) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID66108724
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCCC1NC(=O)CC1c1cccc(OC(C)C)c1
InChIInChI=1S/C15H21NO2/c1-4-14-13(9-15(17)16-14)11-6-5-7-12(8-11)18-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3,(H,16,17)
InChIKeyANNLVXLJOCBEPK-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66109178
4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66106950
4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 81014508
2-(3-propan-2-yloxyphenyl)cyclopentan-1-ol
CID 2759478
4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 114487125
3-methyl-4-(3-propan-2-yloxyphenyl)piperidine
CID 79320306
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 40645363
5-ethyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 103348678
4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
CID 71653291
7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 53368870
4-(3-propan-2-yloxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135633978

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of 5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one (CID 66108724) is 5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one is CCC1NC(=O)CC1c1cccc(OC(C)C)c1.
What is the InChIKey of 5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is ANNLVXLJOCBEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-14-13(9-15(17)16-14)11-6-5-7-12(8-11)18-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one?
5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 66108724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).