(1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate

C11H17NO3 — CID 135170553

IUPAC(1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate
SMILESCCC(=O)OC1C=C(C(C)C)C(=O)N1C
InChIInChI=1S/C11H17NO3/c1-5-10(13)15-9-6-8(7(2)3)11(14)12(9)4/h6-7,9H,5H2,1-4H3
InChIKeyRZCIWCMHKJVAED-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.32
Rot. Bonds3

About (1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate

(1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate (PubChem CID 135170553) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate.

Molecular Properties

Compound Name(1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate
PubChem CID135170553
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate
SMILESCCC(=O)OC1C=C(C(C)C)C(=O)N1C
InChIInChI=1S/C11H17NO3/c1-5-10(13)15-9-6-8(7(2)3)11(14)12(9)4/h6-7,9H,5H2,1-4H3
InChIKeyRZCIWCMHKJVAED-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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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate?
The IUPAC name of (1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate (CID 135170553) is (1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate.
What is the SMILES notation for (1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate?
The canonical SMILES for (1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate is CCC(=O)OC1C=C(C(C)C)C(=O)N1C.
What is the InChIKey of (1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate?
The InChIKey is RZCIWCMHKJVAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-10(13)15-9-6-8(7(2)3)11(14)12(9)4/h6-7,9H,5H2,1-4H3.
What are the key properties of (1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate?
(1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate 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 (1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate is sourced from PubChem (CID 135170553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).