1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one

C14H19NO2 — CID 135039839

IUPAC1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one
SMILESCCCC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-9-14(17)10-8-13(16)15(14)11-12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3
InChIKeyHVVQJYXHYPVVCS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds4

About 1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one

1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one (PubChem CID 135039839) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one
PubChem CID135039839
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one
SMILESCCCC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-9-14(17)10-8-13(16)15(14)11-12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3
InChIKeyHVVQJYXHYPVVCS-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one
CID 11733221
3-benzyl-2,2-dipropylimidazolidin-4-one
CID 122605923
1-benzyl-2-methyl-5-oxopyrrolidine-2-carbonitrile
CID 117066612
(2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide
CID 139058611
1-benzyl-5-(4-chlorobenzoyl)-5-methylpyrrolidin-2-one
CID 4874097
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one
CID 24862023
1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide
CID 15312227
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
N-benzyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247154
(4aR)-1-benzyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylic acid
CID 125461618
4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one
CID 143719662

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one (CID 135039839) is 1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one is CCCC1(O)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one?
The InChIKey is HVVQJYXHYPVVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-9-14(17)10-8-13(16)15(14)11-12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3.
What are the key properties of 1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one?
1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one is sourced from PubChem (CID 135039839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).