(1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate

C10H15NO3 — CID 135170540

IUPAC(1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate
SMILESCC(=O)OC1C(C(C)C)=CC(=O)N1C
InChIInChI=1S/C10H15NO3/c1-6(2)8-5-9(13)11(4)10(8)14-7(3)12/h5-6,10H,1-4H3
InChIKeyOVEVOUKSIKBVBV-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.93
Rot. Bonds2

About (1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate

(1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate (PubChem CID 135170540) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate.

Molecular Properties

Compound Name(1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate
PubChem CID135170540
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate
SMILESCC(=O)OC1C(C(C)C)=CC(=O)N1C
InChIInChI=1S/C10H15NO3/c1-6(2)8-5-9(13)11(4)10(8)14-7(3)12/h5-6,10H,1-4H3
InChIKeyOVEVOUKSIKBVBV-UHFFFAOYSA-N
XLogP0.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.93
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-3-propan-2-yl-2H-pyrrol-2-yl) acetate?
The IUPAC name of (1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate (CID 135170540) is (1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate.
What is the SMILES notation for (1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate?
The canonical SMILES for (1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate is CC(=O)OC1C(C(C)C)=CC(=O)N1C.
What is the InChIKey of (1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate?
The InChIKey is OVEVOUKSIKBVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(2)8-5-9(13)11(4)10(8)14-7(3)12/h5-6,10H,1-4H3.
What are the key properties of (1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate?
(1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate has a molecular weight of 197.23 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate is sourced from PubChem (CID 135170540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).