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

C8H11NO2 — CID 97291747

IUPACethyl 2-(3H-pyrrol-2-yl)acetate
SMILESCCOC(=O)CC1=NC=CC1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)6-7-4-3-5-9-7/h3,5H,2,4,6H2,1H3
InChIKeySGQDDUDIWCSAHK-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.30
Rot. Bonds3

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

ethyl 2-(3H-pyrrol-2-yl)acetate (PubChem CID 97291747) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl 2-(3H-pyrrol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3H-pyrrol-2-yl)acetate
PubChem CID97291747
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl 2-(3H-pyrrol-2-yl)acetate
SMILESCCOC(=O)CC1=NC=CC1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)6-7-4-3-5-9-7/h3,5H,2,4,6H2,1H3
InChIKeySGQDDUDIWCSAHK-UHFFFAOYSA-N
XLogP1.30
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate
CID 70581516
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ethyl 2-(1H-pyrazol-4-yl)acetate
CID 20555345
ethyl 2-(1,2,4-thiadiazol-3-yl)acetate
CID 21458513
ethyl 2-(2,4,6-trihydroxyphenyl)acetate
CID 96710196
ethyl 2-(6-chloropyrazin-2-yl)acetate
CID 52987963
ethyl 2-(1-methylimidazol-4-yl)acetate
CID 77134384
ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate
CID 82358306
ethyl 2-phenylacetate
CID 7590
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-(3H-isoindol-1-yl)acetate
CID 159310117
ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate
CID 14458249

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3H-pyrrol-2-yl)acetate?
The IUPAC name of ethyl 2-(3H-pyrrol-2-yl)acetate (CID 97291747) is ethyl 2-(3H-pyrrol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3H-pyrrol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3H-pyrrol-2-yl)acetate is CCOC(=O)CC1=NC=CC1.
What is the InChIKey of ethyl 2-(3H-pyrrol-2-yl)acetate?
The InChIKey is SGQDDUDIWCSAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)6-7-4-3-5-9-7/h3,5H,2,4,6H2,1H3.
What are the key properties of ethyl 2-(3H-pyrrol-2-yl)acetate?
ethyl 2-(3H-pyrrol-2-yl)acetate has a molecular weight of 153.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3H-pyrrol-2-yl)acetate is sourced from PubChem (CID 97291747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).