[5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol

C6H9NO2 — CID 5151810

IUPAC[5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol
SMILESOCc1ccc(CO)[nH]1
InChIInChI=1S/C6H9NO2/c8-3-5-1-2-6(4-9)7-5/h1-2,7-9H,3-4H2
InChIKeyINNRTGSPTOTXLK-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.00
Rot. Bonds2

About [5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol

[5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol (PubChem CID 5151810) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol
PubChem CID5151810
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name[5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol
SMILESOCc1ccc(CO)[nH]1
InChIInChI=1S/C6H9NO2/c8-3-5-1-2-6(4-9)7-5/h1-2,7-9H,3-4H2
InChIKeyINNRTGSPTOTXLK-UHFFFAOYSA-N
XLogP-0.00
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 ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Pyridinedimethanol
CID 70957
5-(hydroxymethyl)-1H-pyrrole-2-carbaldehyde
CID 12416228
(1H-pyrrol-2-yl)methanol
CID 11073348
1-(1H-Pyrrol-2-yl)ethan-1-ol
CID 13791373
2-(1'-Hydroxypropyl)pyrrole
CID 45092683
5-(Hydroxymethyl)-1H-pyrrole-2-carboxylic acid
CID 55303252
21,22,23,24-Tetrahydroporphyrin-5-ol
CID 90954032
5-Hydroxy-2-hydroxymethyl-pyrrol
CID 91471800
[5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol
CID 123237335
(1,5-Dimethylpyrrol-2-yl)methanol
CID 15015390
2,5-Bis (2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)pyrrole
CID 18694739
2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole
CID 18987453

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol (CID 5151810) is [5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol is OCc1ccc(CO)[nH]1.
What is the InChIKey of [5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol?
The InChIKey is INNRTGSPTOTXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-3-5-1-2-6(4-9)7-5/h1-2,7-9H,3-4H2.
What are the key properties of [5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol?
[5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol has a molecular weight of 127.14 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 5151810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).