1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one

C9H15NO2 — CID 139219091

IUPAC1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
SMILESCCCCN1CC(O)=C(C)C1=O
InChIInChI=1S/C9H15NO2/c1-3-4-5-10-6-8(11)7(2)9(10)12/h11H,3-6H2,1-2H3
InChIKeyMPJOBUJEXICZME-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.46
Rot. Bonds3

About 1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one

1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one (PubChem CID 139219091) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
PubChem CID139219091
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
SMILESCCCCN1CC(O)=C(C)C1=O
InChIInChI=1S/C9H15NO2/c1-3-4-5-10-6-8(11)7(2)9(10)12/h11H,3-6H2,1-2H3
InChIKeyMPJOBUJEXICZME-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-2-oxo-1-propyl-2,5-dihydro-1H-pyrrole-3-carbonitrile
CID 54697632
1-butyl-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 23335118
1-(2-Hydroxyethyl)-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 15919476
1-tert-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 101562025
1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 139219087
3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one
CID 139219088
4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 139219089
1-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one
CID 139219092
1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one
CID 139219095
1-(2-Hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
CID 20184389
4-Hydroxy-3-methyl-1-(2-methylpropyl)-5-sulfanylidenepyrrol-2-one
CID 57549025
3-Hydroxy-1,4-dimethylpyrrole-2,5-dione
CID 57658843

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one (CID 139219091) is 1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one is CCCCN1CC(O)=C(C)C1=O.
What is the InChIKey of 1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one?
The InChIKey is MPJOBUJEXICZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-5-10-6-8(11)7(2)9(10)12/h11H,3-6H2,1-2H3.
What are the key properties of 1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one?
1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one has a molecular weight of 169.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 139219091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).