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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Related Compounds

3-(3-amino-2-methylphenyl)propane-1,2-diol
CID 174811459
3-(2,3,4-triiodophenyl)propane-1,2-diol
CID 18362181
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol
CID 101015191
2-propan-2-yl-1H-pyrrol-3-ol
CID 148579171
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione
CID 67951230
[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone
CID 174521590
3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol
CID 142768144
3-anthracen-1-ylpropane-1,2-diol
CID 175541377
3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol
CID 67601663
3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol
CID 19007893

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).