1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one

C10H17NO2 — CID 5038937

IUPAC1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C(C)=C(C)C1O
InChIInChI=1S/C10H17NO2/c1-4-5-6-11-9(12)7(2)8(3)10(11)13/h9,12H,4-6H2,1-3H3
InChIKeyGWDXJMVQRIZMFM-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.28
Rot. Bonds3

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

1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (PubChem CID 5038937) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
PubChem CID5038937
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C(C)=C(C)C1O
InChIInChI=1S/C10H17NO2/c1-4-5-6-11-9(12)7(2)8(3)10(11)13/h9,12H,4-6H2,1-3H3
InChIKeyGWDXJMVQRIZMFM-UHFFFAOYSA-N
XLogP1.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (CID 5038937) is 1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one is CCCCN1C(=O)C(C)=C(C)C1O.
What is the InChIKey of 1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is GWDXJMVQRIZMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-5-6-11-9(12)7(2)8(3)10(11)13/h9,12H,4-6H2,1-3H3.
What are the key properties of 1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 5038937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).