ethoxy(1H-pyrrol-2-yl)methanol

C7H11NO2 — CID 163959150

IUPACethoxy(1H-pyrrol-2-yl)methanol
SMILESCCOC(O)c1ccc[nH]1
InChIInChI=1S/C7H11NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,7-9H,2H2,1H3
InChIKeySFZATGNCMSDVPI-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.04
Rot. Bonds3

About ethoxy(1H-pyrrol-2-yl)methanol

ethoxy(1H-pyrrol-2-yl)methanol (PubChem CID 163959150) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is ethoxy(1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Nameethoxy(1H-pyrrol-2-yl)methanol
PubChem CID163959150
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameethoxy(1H-pyrrol-2-yl)methanol
SMILESCCOC(O)c1ccc[nH]1
InChIInChI=1S/C7H11NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,7-9H,2H2,1H3
InChIKeySFZATGNCMSDVPI-UHFFFAOYSA-N
XLogP1.04
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 ethoxy(1H-pyrrol-2-yl)methanol?
The IUPAC name of ethoxy(1H-pyrrol-2-yl)methanol (CID 163959150) is ethoxy(1H-pyrrol-2-yl)methanol.
What is the SMILES notation for ethoxy(1H-pyrrol-2-yl)methanol?
The canonical SMILES for ethoxy(1H-pyrrol-2-yl)methanol is CCOC(O)c1ccc[nH]1.
What is the InChIKey of ethoxy(1H-pyrrol-2-yl)methanol?
The InChIKey is SFZATGNCMSDVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,7-9H,2H2,1H3.
What are the key properties of ethoxy(1H-pyrrol-2-yl)methanol?
ethoxy(1H-pyrrol-2-yl)methanol has a molecular weight of 141.17 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 163959150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).