5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one

C16H21NO — CID 104687587

IUPAC5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one
SMILESCCC1(Cc2ccccc2C2CC2)CCC(=O)N1
InChIInChI=1S/C16H21NO/c1-2-16(10-9-15(18)17-16)11-13-5-3-4-6-14(13)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,17,18)
InChIKeyHRDBFESPLYMZDS-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.17
Rot. Bonds4

About 5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one

5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one (PubChem CID 104687587) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one
PubChem CID104687587
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one
SMILESCCC1(Cc2ccccc2C2CC2)CCC(=O)N1
InChIInChI=1S/C16H21NO/c1-2-16(10-9-15(18)17-16)11-13-5-3-4-6-14(13)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,17,18)
InChIKeyHRDBFESPLYMZDS-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 104687535
5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
CID 104687544
5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one
CID 113441381
5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 113441378
5-ethyl-5-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-one
CID 104687511
5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
CID 104687413
5-[(2,3-dimethylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687622
5-ethyl-5-[(4-pentoxyphenyl)methyl]pyrrolidin-2-one
CID 104687527
5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
CID 104687460
5-[(4-chlorothiophen-2-yl)methyl]-5-ethylpyrrolidin-2-one
CID 104687431
(5S)-5-(2-ethylphenyl)pyrrolidin-2-one
CID 130615199
5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687917

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one?
The IUPAC name of 5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one (CID 104687587) is 5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one.
What is the SMILES notation for 5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one?
The canonical SMILES for 5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one is CCC1(Cc2ccccc2C2CC2)CCC(=O)N1.
What is the InChIKey of 5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one?
The InChIKey is HRDBFESPLYMZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-16(10-9-15(18)17-16)11-13-5-3-4-6-14(13)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,17,18).
What are the key properties of 5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one?
5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one has a molecular weight of 243.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one is sourced from PubChem (CID 104687587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).