[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate

C14H12ClNO3 — CID 4010877

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C14H12ClNO3/c15-11-5-3-10(4-6-11)8-14(18)19-9-13(17)12-2-1-7-16-12/h1-7,16H,8-9H2
InChIKeyBBHDJKGTTGZYIV-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.64
Rot. Bonds5

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate (PubChem CID 4010877) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate
PubChem CID4010877
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C14H12ClNO3/c15-11-5-3-10(4-6-11)8-14(18)19-9-13(17)12-2-1-7-16-12/h1-7,16H,8-9H2
InChIKeyBBHDJKGTTGZYIV-UHFFFAOYSA-N
XLogP2.64
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate (CID 4010877) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)OCC(=O)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is BBHDJKGTTGZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-11-5-3-10(4-6-11)8-14(18)19-9-13(17)12-2-1-7-16-12/h1-7,16H,8-9H2.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 277.71 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 4010877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).