1-(1H-pyrrol-3-yl)ethane-1,2-diol

C6H9NO2 — CID 82280055

IUPAC1-(1H-pyrrol-3-yl)ethane-1,2-diol
SMILESOCC(O)c1cc[nH]c1
InChIInChI=1S/C6H9NO2/c8-4-6(9)5-1-2-7-3-5/h1-3,6-9H,4H2
InChIKeyULXZECRDECROGH-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.04
Rot. Bonds2

About 1-(1H-pyrrol-3-yl)ethane-1,2-diol

1-(1H-pyrrol-3-yl)ethane-1,2-diol (PubChem CID 82280055) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)ethane-1,2-diol
PubChem CID82280055
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-(1H-pyrrol-3-yl)ethane-1,2-diol
SMILESOCC(O)c1cc[nH]c1
InChIInChI=1S/C6H9NO2/c8-4-6(9)5-1-2-7-3-5/h1-3,6-9H,4H2
InChIKeyULXZECRDECROGH-UHFFFAOYSA-N
XLogP0.04
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)ethane-1,2-diol?
The IUPAC name of 1-(1H-pyrrol-3-yl)ethane-1,2-diol (CID 82280055) is 1-(1H-pyrrol-3-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1H-pyrrol-3-yl)ethane-1,2-diol is OCC(O)c1cc[nH]c1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)ethane-1,2-diol?
The InChIKey is ULXZECRDECROGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-4-6(9)5-1-2-7-3-5/h1-3,6-9H,4H2.
What are the key properties of 1-(1H-pyrrol-3-yl)ethane-1,2-diol?
1-(1H-pyrrol-3-yl)ethane-1,2-diol has a molecular weight of 127.14 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)ethane-1,2-diol is sourced from PubChem (CID 82280055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).