(1-phenylpyrrol-3-yl) acetate

C12H11NO2 — CID 174955696

IUPAC(1-phenylpyrrol-3-yl) acetate
SMILESCC(=O)Oc1ccn(-c2ccccc2)c1
InChIInChI=1S/C12H11NO2/c1-10(14)15-12-7-8-13(9-12)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyFBBWXLJUJOWGRO-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.40
Rot. Bonds2

About (1-phenylpyrrol-3-yl) acetate

(1-phenylpyrrol-3-yl) acetate (PubChem CID 174955696) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (1-phenylpyrrol-3-yl) acetate.

Molecular Properties

Compound Name(1-phenylpyrrol-3-yl) acetate
PubChem CID174955696
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(1-phenylpyrrol-3-yl) acetate
SMILESCC(=O)Oc1ccn(-c2ccccc2)c1
InChIInChI=1S/C12H11NO2/c1-10(14)15-12-7-8-13(9-12)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyFBBWXLJUJOWGRO-UHFFFAOYSA-N
XLogP2.40
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl acetate;hydroiodide
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CID 90936233
phenoxybenzene;phenyl acetate
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N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 50854683
sodium;phenyl acetate;sulfur dioxide
CID 172838332
acetonitrile;phenyl acetate
CID 175488590
(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone
CID 5325964
(1-tritylpyrazol-4-yl) acetate
CID 174736849
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CID 594823
azane;ethanol;mercury;phenyl acetate
CID 70517650

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrrol-3-yl) acetate?
The IUPAC name of (1-phenylpyrrol-3-yl) acetate (CID 174955696) is (1-phenylpyrrol-3-yl) acetate.
What is the SMILES notation for (1-phenylpyrrol-3-yl) acetate?
The canonical SMILES for (1-phenylpyrrol-3-yl) acetate is CC(=O)Oc1ccn(-c2ccccc2)c1.
What is the InChIKey of (1-phenylpyrrol-3-yl) acetate?
The InChIKey is FBBWXLJUJOWGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-10(14)15-12-7-8-13(9-12)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of (1-phenylpyrrol-3-yl) acetate?
(1-phenylpyrrol-3-yl) acetate has a molecular weight of 201.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrrol-3-yl) acetate is sourced from PubChem (CID 174955696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).