5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol

C9H10N2O — CID 12613530

IUPAC5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol
SMILESOC1CCN=C1c1cccnc1
InChIInChI=1S/C9H10N2O/c12-8-3-5-11-9(8)7-2-1-4-10-6-7/h1-2,4,6,8,12H,3,5H2
InChIKeyRXWNIYYRYMXPRE-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.64
Rot. Bonds1

About 5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol

5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol (PubChem CID 12613530) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol.

Molecular Properties

Compound Name5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol
PubChem CID12613530
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol
SMILESOC1CCN=C1c1cccnc1
InChIInChI=1S/C9H10N2O/c12-8-3-5-11-9(8)7-2-1-4-10-6-7/h1-2,4,6,8,12H,3,5H2
InChIKeyRXWNIYYRYMXPRE-UHFFFAOYSA-N
XLogP0.64
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol?
The IUPAC name of 5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol (CID 12613530) is 5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol.
What is the SMILES notation for 5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol?
The canonical SMILES for 5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol is OC1CCN=C1c1cccnc1.
What is the InChIKey of 5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol?
The InChIKey is RXWNIYYRYMXPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-8-3-5-11-9(8)7-2-1-4-10-6-7/h1-2,4,6,8,12H,3,5H2.
What are the key properties of 5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol?
5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol has a molecular weight of 162.19 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-3,4-dihydro-2H-pyrrol-4-ol is sourced from PubChem (CID 12613530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).