ethyl 2-(1H-pyrrol-3-yl)acetate

C8H11NO2 — CID 13220302

IUPACethyl 2-(1H-pyrrol-3-yl)acetate
SMILESCCOC(=O)Cc1cc[nH]c1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)5-7-3-4-9-6-7/h3-4,6,9H,2,5H2,1H3
InChIKeyOPLGNZRWCMKEDJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.12
Rot. Bonds3

About ethyl 2-(1H-pyrrol-3-yl)acetate

ethyl 2-(1H-pyrrol-3-yl)acetate (PubChem CID 13220302) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl 2-(1H-pyrrol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1H-pyrrol-3-yl)acetate
PubChem CID13220302
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl 2-(1H-pyrrol-3-yl)acetate
SMILESCCOC(=O)Cc1cc[nH]c1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)5-7-3-4-9-6-7/h3-4,6,9H,2,5H2,1H3
InChIKeyOPLGNZRWCMKEDJ-UHFFFAOYSA-N
XLogP1.12
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-pyrrol-3-yl)acetate?
The IUPAC name of ethyl 2-(1H-pyrrol-3-yl)acetate (CID 13220302) is ethyl 2-(1H-pyrrol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1H-pyrrol-3-yl)acetate?
The canonical SMILES for ethyl 2-(1H-pyrrol-3-yl)acetate is CCOC(=O)Cc1cc[nH]c1.
What is the InChIKey of ethyl 2-(1H-pyrrol-3-yl)acetate?
The InChIKey is OPLGNZRWCMKEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)5-7-3-4-9-6-7/h3-4,6,9H,2,5H2,1H3.
What are the key properties of ethyl 2-(1H-pyrrol-3-yl)acetate?
ethyl 2-(1H-pyrrol-3-yl)acetate has a molecular weight of 153.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-pyrrol-3-yl)acetate is sourced from PubChem (CID 13220302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).