1-(2-ethenoxyethyl)-3-ethylpyrrole

C10H15NO — CID 122210748

IUPAC1-(2-ethenoxyethyl)-3-ethylpyrrole
SMILESC=COCCn1ccc(CC)c1
InChIInChI=1S/C10H15NO/c1-3-10-5-6-11(9-10)7-8-12-4-2/h4-6,9H,2-3,7-8H2,1H3
InChIKeyFOKDYJBDUGCEDW-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.21
Rot. Bonds5

About 1-(2-ethenoxyethyl)-3-ethylpyrrole

1-(2-ethenoxyethyl)-3-ethylpyrrole (PubChem CID 122210748) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)-3-ethylpyrrole.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)-3-ethylpyrrole
PubChem CID122210748
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(2-ethenoxyethyl)-3-ethylpyrrole
SMILESC=COCCn1ccc(CC)c1
InChIInChI=1S/C10H15NO/c1-3-10-5-6-11(9-10)7-8-12-4-2/h4-6,9H,2-3,7-8H2,1H3
InChIKeyFOKDYJBDUGCEDW-UHFFFAOYSA-N
XLogP2.21
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethyl)-3-ethylpyrrole?
The IUPAC name of 1-(2-ethenoxyethyl)-3-ethylpyrrole (CID 122210748) is 1-(2-ethenoxyethyl)-3-ethylpyrrole.
What is the SMILES notation for 1-(2-ethenoxyethyl)-3-ethylpyrrole?
The canonical SMILES for 1-(2-ethenoxyethyl)-3-ethylpyrrole is C=COCCn1ccc(CC)c1.
What is the InChIKey of 1-(2-ethenoxyethyl)-3-ethylpyrrole?
The InChIKey is FOKDYJBDUGCEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-10-5-6-11(9-10)7-8-12-4-2/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 1-(2-ethenoxyethyl)-3-ethylpyrrole?
1-(2-ethenoxyethyl)-3-ethylpyrrole has a molecular weight of 165.24 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)-3-ethylpyrrole is sourced from PubChem (CID 122210748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).