5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one

C15H21NO — CID 66109160

IUPAC5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1(c1ccccc1)C(C)C
InChIInChI=1S/C15H21NO/c1-4-13-15(11(2)3,10-14(17)16-13)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,17)
InChIKeySPWRZWCCEIMTSB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.88
Rot. Bonds3

About 5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one

5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one (PubChem CID 66109160) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one
PubChem CID66109160
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1(c1ccccc1)C(C)C
InChIInChI=1S/C15H21NO/c1-4-13-15(11(2)3,10-14(17)16-13)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,17)
InChIKeySPWRZWCCEIMTSB-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one
CID 66108510
4-(3-bromophenyl)-5-ethyl-4-methylpyrrolidin-2-one
CID 66107216
5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one
CID 66107860
4-(2-phenylpropyl)piperidine-2,6-dione
CID 63156337
4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
CID 66108959
8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
CID 66104403
3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione
CID 79321359
5-ethyl-6-azaspiro[3.4]octan-7-one
CID 81251758
4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one
CID 66107225
4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one
CID 66107669
5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one
CID 107150400
4,4-bis(2-methylpropyl)-5-phenylpyrrolidin-2-one
CID 114868876

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one (CID 66109160) is 5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one is CCC1NC(=O)CC1(c1ccccc1)C(C)C.
What is the InChIKey of 5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is SPWRZWCCEIMTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-13-15(11(2)3,10-14(17)16-13)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,17).
What are the key properties of 5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one?
5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 66109160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).