1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one

C10H17NO2 — CID 139219095

IUPAC1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one
SMILESCCC1=C(O)CN(C(C)(C)C)C1=O
InChIInChI=1S/C10H17NO2/c1-5-7-8(12)6-11(9(7)13)10(2,3)4/h12H,5-6H2,1-4H3
InChIKeyCPUGSKSHRXBDSI-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.85
Rot. Bonds1

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

1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one (PubChem CID 139219095) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one
PubChem CID139219095
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one
SMILESCCC1=C(O)CN(C(C)(C)C)C1=O
InChIInChI=1S/C10H17NO2/c1-5-7-8(12)6-11(9(7)13)10(2,3)4/h12H,5-6H2,1-4H3
InChIKeyCPUGSKSHRXBDSI-UHFFFAOYSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one (CID 139219095) is 1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one is CCC1=C(O)CN(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one?
The InChIKey is CPUGSKSHRXBDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-7-8(12)6-11(9(7)13)10(2,3)4/h12H,5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one?
1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 139219095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).