1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one

C17H25NO2 — CID 104512578

IUPAC1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(O)c2cc(C)ccc2C)C1
InChIInChI=1S/C17H25NO2/c1-4-5-14-9-17(20)18(10-14)11-16(19)15-8-12(2)6-7-13(15)3/h6-8,14,16,19H,4-5,9-11H2,1-3H3
InChIKeyMJGWMFMROTWTHQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.99
Rot. Bonds5

About 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one

1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one (PubChem CID 104512578) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
PubChem CID104512578
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(O)c2cc(C)ccc2C)C1
InChIInChI=1S/C17H25NO2/c1-4-5-14-9-17(20)18(10-14)11-16(19)15-8-12(2)6-7-13(15)3/h6-8,14,16,19H,4-5,9-11H2,1-3H3
InChIKeyMJGWMFMROTWTHQ-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one (CID 104512578) is 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CC(O)c2cc(C)ccc2C)C1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one?
The InChIKey is MJGWMFMROTWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-5-14-9-17(20)18(10-14)11-16(19)15-8-12(2)6-7-13(15)3/h6-8,14,16,19H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one?
1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104512578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).