[4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol

C7H11NO3 — CID 150517849

IUPAC[4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol
SMILESOCc1c[nH]c(CO)c1CO
InChIInChI=1S/C7H11NO3/c9-2-5-1-8-7(4-11)6(5)3-10/h1,8-11H,2-4H2
InChIKeyIBEOSCAFFSWXCG-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.51
Rot. Bonds3

About [4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol

[4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol (PubChem CID 150517849) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is [4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol
PubChem CID150517849
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name[4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol
SMILESOCc1c[nH]c(CO)c1CO
InChIInChI=1S/C7H11NO3/c9-2-5-1-8-7(4-11)6(5)3-10/h1,8-11H,2-4H2
InChIKeyIBEOSCAFFSWXCG-UHFFFAOYSA-N
XLogP-0.51
TPSA76.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(carboxylatomethyl)-5-(hydroxymethyl)-1H-pyrrol-3-yl]propanoate
CID 54758687
bis(5-(hydroxymethyl)-1H-pyrimidine-2,4-dione);hydrate
CID 70550921
3-ethyl-2-(hydroxymethyl)-5-methyl-1H-pyridin-4-one
CID 20701505
3-(chloromethyl)-5-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085159
[3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol
CID 66915096
5-(fluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134679059
(4-methylidene-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methanol
CID 59887412
ruthenium;2,3,4-triethyl-1H-pyrrole
CID 174581947
3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one
CID 593354
(2-ethyl-1H-pyrrol-3-yl)methanol
CID 174935914
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
2,3-bis(ethenyl)-5-(hydroxymethyl)-1H-pyridin-4-one
CID 142923204

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol?
The IUPAC name of [4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol (CID 150517849) is [4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for [4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol?
The canonical SMILES for [4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol is OCc1c[nH]c(CO)c1CO.
What is the InChIKey of [4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol?
The InChIKey is IBEOSCAFFSWXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-2-5-1-8-7(4-11)6(5)3-10/h1,8-11H,2-4H2.
What are the key properties of [4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol?
[4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol has a molecular weight of 157.17 g/mol, XLogP of -0.51, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(hydroxymethyl)-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 150517849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).