(4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate

C11H17NO3 — CID 135170713

IUPAC(4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate
SMILESCCC1=CC(OC(=O)C(C)C)N(C)C1=O
InChIInChI=1S/C11H17NO3/c1-5-8-6-9(12(4)10(8)13)15-11(14)7(2)3/h6-7,9H,5H2,1-4H3
InChIKeyOCZMQAPVICQJFK-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.32
Rot. Bonds3

About (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate

(4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate (PubChem CID 135170713) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate
PubChem CID135170713
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate
SMILESCCC1=CC(OC(=O)C(C)C)N(C)C1=O
InChIInChI=1S/C11H17NO3/c1-5-8-6-9(12(4)10(8)13)15-11(14)7(2)3/h6-7,9H,5H2,1-4H3
InChIKeyOCZMQAPVICQJFK-UHFFFAOYSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 146168827
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CID 176436206
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CID 176436207
CID 176436207
CID 46914627
CID 46914627
CID 11075524
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CID 11845064
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CID 12549670
CID 12549670
CID 15069755
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CID 15069756
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CID 15069758
CID 15069758

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate?
The IUPAC name of (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate (CID 135170713) is (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate.
What is the SMILES notation for (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate?
The canonical SMILES for (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate is CCC1=CC(OC(=O)C(C)C)N(C)C1=O.
What is the InChIKey of (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate?
The InChIKey is OCZMQAPVICQJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-8-6-9(12(4)10(8)13)15-11(14)7(2)3/h6-7,9H,5H2,1-4H3.
What are the key properties of (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate?
(4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate has a molecular weight of 211.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate is sourced from PubChem (CID 135170713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).