1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one

C15H27NO2 — CID 101422133

IUPAC1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one
SMILESCCCCCC1(O)C=C(CC)C(=O)N1CCCC
InChIInChI=1S/C15H27NO2/c1-4-7-9-10-15(18)12-13(6-3)14(17)16(15)11-8-5-2/h12,18H,4-11H2,1-3H3
InChIKeyFEKVOFBKIDWHCX-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.23
Rot. Bonds8

About 1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one

1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one (PubChem CID 101422133) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one.

Molecular Properties

Compound Name1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one
PubChem CID101422133
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one
SMILESCCCCCC1(O)C=C(CC)C(=O)N1CCCC
InChIInChI=1S/C15H27NO2/c1-4-7-9-10-15(18)12-13(6-3)14(17)16(15)11-8-5-2/h12,18H,4-11H2,1-3H3
InChIKeyFEKVOFBKIDWHCX-UHFFFAOYSA-N
XLogP3.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Butyl-2-ethyl-3-hydroxy-4,5-dihydroisoindol-1-one
CID 168157840
2,3-Dibutyl-3-hydroxy-4,5-dihydroisoindol-1-one
CID 175418760
3-Butyl-3-hydroxy-2-propyl-4,5-dihydroisoindol-1-one
CID 175418763
3-Butyl-3-hydroxy-2-pentyl-4,5-dihydroisoindol-1-one
CID 175418766
1-Butyl-3-ethyl-5-methoxy-5-pentylpyrrol-2-one
CID 101422132
1-Hept-6-enyl-5-hydroxy-5-methylpyrrol-2-one
CID 154691411
1-[3-(3-Hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione
CID 11402427
(8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
CID 132822149

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one?
The IUPAC name of 1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one (CID 101422133) is 1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one.
What is the SMILES notation for 1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one?
The canonical SMILES for 1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one is CCCCCC1(O)C=C(CC)C(=O)N1CCCC.
What is the InChIKey of 1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one?
The InChIKey is FEKVOFBKIDWHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-7-9-10-15(18)12-13(6-3)14(17)16(15)11-8-5-2/h12,18H,4-11H2,1-3H3.
What are the key properties of 1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one?
1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one has a molecular weight of 253.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one is sourced from PubChem (CID 101422133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).