4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

C17H25NO2 — CID 68806012

IUPAC4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESCC(CCO)CC1CC(=O)N([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-13(8-9-19)10-15-11-17(20)18(12-15)14(2)16-6-4-3-5-7-16/h3-7,13-15,19H,8-12H2,1-2H3/t13?,14-,15?/m0/s1
InChIKeyODCNYRKYFRNLES-SLTAFYQDSA-N
MW275.39 g/mol
LogP3.00
Rot. Bonds6

About 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 68806012) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID68806012
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESCC(CCO)CC1CC(=O)N([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-13(8-9-19)10-15-11-17(20)18(12-15)14(2)16-6-4-3-5-7-16/h3-7,13-15,19H,8-12H2,1-2H3/t13?,14-,15?/m0/s1
InChIKeyODCNYRKYFRNLES-SLTAFYQDSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 68806012) is 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is CC(CCO)CC1CC(=O)N([C@@H](C)c2ccccc2)C1.
What is the InChIKey of 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is ODCNYRKYFRNLES-SLTAFYQDSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(8-9-19)10-15-11-17(20)18(12-15)14(2)16-6-4-3-5-7-16/h3-7,13-15,19H,8-12H2,1-2H3/t13?,14-,15?/m0/s1.
What are the key properties of 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 68806012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).