1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol

C10H17NO2 — CID 79107368

IUPAC1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol
SMILESCCOCCn1cccc1C(C)O
InChIInChI=1S/C10H17NO2/c1-3-13-8-7-11-6-4-5-10(11)9(2)12/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyYAYUANIFUJWBGS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.58
Rot. Bonds5

About 1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol

1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol (PubChem CID 79107368) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol
PubChem CID79107368
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol
SMILESCCOCCn1cccc1C(C)O
InChIInChI=1S/C10H17NO2/c1-3-13-8-7-11-6-4-5-10(11)9(2)12/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyYAYUANIFUJWBGS-UHFFFAOYSA-N
XLogP1.58
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol (CID 79107368) is 1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol is CCOCCn1cccc1C(C)O.
What is the InChIKey of 1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol?
The InChIKey is YAYUANIFUJWBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-13-8-7-11-6-4-5-10(11)9(2)12/h4-6,9,12H,3,7-8H2,1-2H3.
What are the key properties of 1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol?
1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol has a molecular weight of 183.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol is sourced from PubChem (CID 79107368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).