3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol

C9H15NO3 — CID 57221099

IUPAC3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol
SMILESCC(O)c1[nH]ccc1CC(O)CO
InChIInChI=1S/C9H15NO3/c1-6(12)9-7(2-3-10-9)4-8(13)5-11/h2-3,6,8,10-13H,4-5H2,1H3
InChIKeyONZBUGAFYWORJJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.04
Rot. Bonds4

About 3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol

3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol (PubChem CID 57221099) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol
PubChem CID57221099
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol
SMILESCC(O)c1[nH]ccc1CC(O)CO
InChIInChI=1S/C9H15NO3/c1-6(12)9-7(2-3-10-9)4-8(13)5-11/h2-3,6,8,10-13H,4-5H2,1H3
InChIKeyONZBUGAFYWORJJ-UHFFFAOYSA-N
XLogP-0.04
TPSA76.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol (CID 57221099) is 3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol is CC(O)c1[nH]ccc1CC(O)CO.
What is the InChIKey of 3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol?
The InChIKey is ONZBUGAFYWORJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(12)9-7(2-3-10-9)4-8(13)5-11/h2-3,6,8,10-13H,4-5H2,1H3.
What are the key properties of 3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol?
3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol has a molecular weight of 185.22 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol is sourced from PubChem (CID 57221099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).