5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride

C11H16ClN3O — CID 56663664

IUPAC5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride
SMILESCl.Oc1cncc(N2CC3CNCC3C2)c1
InChIInChI=1S/C11H15N3O.ClH/c15-11-1-10(4-13-5-11)14-6-8-2-12-3-9(8)7-14;/h1,4-5,8-9,12,15H,2-3,6-7H2;1H
InChIKeyCJWGELXRIOUVMF-UHFFFAOYSA-N
MW241.72 g/mol
LogP0.86
Rot. Bonds1

About 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride

5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride (PubChem CID 56663664) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride
PubChem CID56663664
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride
SMILESCl.Oc1cncc(N2CC3CNCC3C2)c1
InChIInChI=1S/C11H15N3O.ClH/c15-11-1-10(4-13-5-11)14-6-8-2-12-3-9(8)7-14;/h1,4-5,8-9,12,15H,2-3,6-7H2;1H
InChIKeyCJWGELXRIOUVMF-UHFFFAOYSA-N
XLogP0.86
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride?
The IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride (CID 56663664) is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride.
What is the SMILES notation for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride?
The canonical SMILES for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride is Cl.Oc1cncc(N2CC3CNCC3C2)c1.
What is the InChIKey of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride?
The InChIKey is CJWGELXRIOUVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c15-11-1-10(4-13-5-11)14-6-8-2-12-3-9(8)7-14;/h1,4-5,8-9,12,15H,2-3,6-7H2;1H.
What are the key properties of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride?
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride is sourced from PubChem (CID 56663664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).