3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol

C8H12N2O2 — CID 54541041

IUPAC3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol
SMILESOc1cc(N2CCCC2)c(O)[nH]1
InChIInChI=1S/C8H12N2O2/c11-7-5-6(8(12)9-7)10-3-1-2-4-10/h5,9,11-12H,1-4H2
InChIKeyGSMWDMYLGJBKSE-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.03
Rot. Bonds1

About 3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol

3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol (PubChem CID 54541041) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol
PubChem CID54541041
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol
SMILESOc1cc(N2CCCC2)c(O)[nH]1
InChIInChI=1S/C8H12N2O2/c11-7-5-6(8(12)9-7)10-3-1-2-4-10/h5,9,11-12H,1-4H2
InChIKeyGSMWDMYLGJBKSE-UHFFFAOYSA-N
XLogP1.03
TPSA59.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1H-pyrrole-2,5-diol
CID 53947578
1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol
CID 54353036
3-(methylamino)-1H-pyrrole-2,5-diol
CID 91398721
3-[(2,5-Dihydroxy-1-methylpyrrol-3-yl)amino]-1-methylpyrrole-2,5-diol
CID 53679535
3-Amino-1-methylpyrrole-2,5-diol
CID 53798084
1-Nonyl-3-(nonylamino)pyrrole-2,5-diol
CID 53881041
1-Decyl-3-(decylamino)pyrrole-2,5-diol
CID 53995147
3-(Heptylamino)-1-nonylpyrrole-2,5-diol
CID 54020850
3-[2-(Diethylamino)ethylamino]-1-nonylpyrrole-2,5-diol
CID 54114677
1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 54206817
tert-butyl N-(2,5-dihydroxy-1H-pyrrol-3-yl)carbamate
CID 54318666
3-[2-(Dibutylamino)ethylamino]-1-nonylpyrrole-2,5-diol
CID 54494591

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol?
The IUPAC name of 3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol (CID 54541041) is 3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol is Oc1cc(N2CCCC2)c(O)[nH]1.
What is the InChIKey of 3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol?
The InChIKey is GSMWDMYLGJBKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-7-5-6(8(12)9-7)10-3-1-2-4-10/h5,9,11-12H,1-4H2.
What are the key properties of 3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol?
3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol has a molecular weight of 168.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol is sourced from PubChem (CID 54541041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).