(1-ethylpyrrol-2-yl)-methoxymethanol

C8H13NO2 — CID 134511655

IUPAC(1-ethylpyrrol-2-yl)-methoxymethanol
SMILESCCn1cccc1C(O)OC
InChIInChI=1S/C8H13NO2/c1-3-9-6-4-5-7(9)8(10)11-2/h4-6,8,10H,3H2,1-2H3
InChIKeyGZXGKXSLKWEGGO-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.15
Rot. Bonds3

About (1-ethylpyrrol-2-yl)-methoxymethanol

(1-ethylpyrrol-2-yl)-methoxymethanol (PubChem CID 134511655) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1-ethylpyrrol-2-yl)-methoxymethanol.

Molecular Properties

Compound Name(1-ethylpyrrol-2-yl)-methoxymethanol
PubChem CID134511655
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1-ethylpyrrol-2-yl)-methoxymethanol
SMILESCCn1cccc1C(O)OC
InChIInChI=1S/C8H13NO2/c1-3-9-6-4-5-7(9)8(10)11-2/h4-6,8,10H,3H2,1-2H3
InChIKeyGZXGKXSLKWEGGO-UHFFFAOYSA-N
XLogP1.15
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrrol-2-yl)-methoxymethanol?
The IUPAC name of (1-ethylpyrrol-2-yl)-methoxymethanol (CID 134511655) is (1-ethylpyrrol-2-yl)-methoxymethanol.
What is the SMILES notation for (1-ethylpyrrol-2-yl)-methoxymethanol?
The canonical SMILES for (1-ethylpyrrol-2-yl)-methoxymethanol is CCn1cccc1C(O)OC.
What is the InChIKey of (1-ethylpyrrol-2-yl)-methoxymethanol?
The InChIKey is GZXGKXSLKWEGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-9-6-4-5-7(9)8(10)11-2/h4-6,8,10H,3H2,1-2H3.
What are the key properties of (1-ethylpyrrol-2-yl)-methoxymethanol?
(1-ethylpyrrol-2-yl)-methoxymethanol has a molecular weight of 155.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrrol-2-yl)-methoxymethanol is sourced from PubChem (CID 134511655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).