5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one

C14H22N2O2 — CID 24862023

IUPAC5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one
SMILESCCCCC1(O)CCC(=O)N1CCc1cc[nH]c1
InChIInChI=1S/C14H22N2O2/c1-2-3-7-14(18)8-4-13(17)16(14)10-6-12-5-9-15-11-12/h5,9,11,15,18H,2-4,6-8,10H2,1H3
InChIKeyUVRYDRZFZRNQOQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.06
Rot. Bonds6

About 5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one

5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one (PubChem CID 24862023) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one
PubChem CID24862023
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one
SMILESCCCCC1(O)CCC(=O)N1CCc1cc[nH]c1
InChIInChI=1S/C14H22N2O2/c1-2-3-7-14(18)8-4-13(17)16(14)10-6-12-5-9-15-11-12/h5,9,11,15,18H,2-4,6-8,10H2,1H3
InChIKeyUVRYDRZFZRNQOQ-UHFFFAOYSA-N
XLogP2.06
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one
CID 135039839
3-pentyl-1H-pyrrole
CID 15599581
1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione
CID 118889138
3-octadecyl-1H-pyrrole
CID 14890918
S-[5-oxo-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-3-yl] ethanethioate
CID 168706065
6-oxo-1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-3-carboxylic acid
CID 116837796
1-butyl-5,5-dimethylpyrrolidin-2-one
CID 14887124
3,3-dimethyl-1-[4-(1H-pyrrol-3-yl)butanoyl]piperidin-4-one
CID 115276631
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
CID 115270787
N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115694288
1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one
CID 115270824
N-ethyl-2-(1H-pyrrol-3-yl)ethanamine
CID 82490381

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one (CID 24862023) is 5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one is CCCCC1(O)CCC(=O)N1CCc1cc[nH]c1.
What is the InChIKey of 5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one?
The InChIKey is UVRYDRZFZRNQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-7-14(18)8-4-13(17)16(14)10-6-12-5-9-15-11-12/h5,9,11,15,18H,2-4,6-8,10H2,1H3.
What are the key properties of 5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one?
5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-hydroxy-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 24862023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).