2-(2-ethenoxyethyl)-1H-pyrrole

C8H11NO — CID 18539708

IUPAC2-(2-ethenoxyethyl)-1H-pyrrole
SMILESC=COCCc1ccc[nH]1
InChIInChI=1S/C8H11NO/c1-2-10-7-5-8-4-3-6-9-8/h2-4,6,9H,1,5,7H2
InChIKeyOOMCBUSOWABRHT-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.72
Rot. Bonds4

About 2-(2-ethenoxyethyl)-1H-pyrrole

2-(2-ethenoxyethyl)-1H-pyrrole (PubChem CID 18539708) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)-1H-pyrrole
PubChem CID18539708
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-(2-ethenoxyethyl)-1H-pyrrole
SMILESC=COCCc1ccc[nH]1
InChIInChI=1S/C8H11NO/c1-2-10-7-5-8-4-3-6-9-8/h2-4,6,9H,1,5,7H2
InChIKeyOOMCBUSOWABRHT-UHFFFAOYSA-N
XLogP1.72
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide
CID 141078284
2-prop-2-enyl-1H-pyrrole
CID 527534
2-prop-2-ynyl-1H-pyrrole
CID 12008703
molecular hydrogen;2-propyl-1H-pyrrole
CID 157161964
1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene
CID 22082114
3-(1H-pyrrol-2-yl)propyl hydrogen carbonate
CID 150891506
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
2,6-bis(2-ethenoxyethyl)naphthalene
CID 150795307
1-(2-ethenoxyethyl)-4-ethenylbenzene
CID 23031073
2-hexacosyl-1H-pyrrole
CID 173177329
potassium 1H-pyrrol-2-ylmethanolate
CID 140988269
methane;1H-pyrrol-2-ylmethanamine
CID 162272370

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)-1H-pyrrole?
The IUPAC name of 2-(2-ethenoxyethyl)-1H-pyrrole (CID 18539708) is 2-(2-ethenoxyethyl)-1H-pyrrole.
What is the SMILES notation for 2-(2-ethenoxyethyl)-1H-pyrrole?
The canonical SMILES for 2-(2-ethenoxyethyl)-1H-pyrrole is C=COCCc1ccc[nH]1.
What is the InChIKey of 2-(2-ethenoxyethyl)-1H-pyrrole?
The InChIKey is OOMCBUSOWABRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-10-7-5-8-4-3-6-9-8/h2-4,6,9H,1,5,7H2.
What are the key properties of 2-(2-ethenoxyethyl)-1H-pyrrole?
2-(2-ethenoxyethyl)-1H-pyrrole has a molecular weight of 137.18 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)-1H-pyrrole is sourced from PubChem (CID 18539708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).