6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride

C17H18Cl2N2O — CID 19597556

IUPAC6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cnc3cc(N4CCCC4)oc3c2)cc1
InChIInChI=1S/C17H16N2O.2ClH/c1-2-6-13(7-3-1)14-10-16-15(18-12-14)11-17(20-16)19-8-4-5-9-19;;/h1-3,6-7,10-12H,4-5,8-9H2;2*1H
InChIKeyBNYOGSNUJNDDQU-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.94
Rot. Bonds2

About 6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride

6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride (PubChem CID 19597556) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride
PubChem CID19597556
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cnc3cc(N4CCCC4)oc3c2)cc1
InChIInChI=1S/C17H16N2O.2ClH/c1-2-6-13(7-3-1)14-10-16-15(18-12-14)11-17(20-16)19-8-4-5-9-19;;/h1-3,6-7,10-12H,4-5,8-9H2;2*1H
InChIKeyBNYOGSNUJNDDQU-UHFFFAOYSA-N
XLogP4.94
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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6-phenyl-[1,3]oxazolo[4,5-b]pyridine
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CID 168513067
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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride?
The IUPAC name of 6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride (CID 19597556) is 6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride.
What is the SMILES notation for 6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride?
The canonical SMILES for 6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride is Cl.Cl.c1ccc(-c2cnc3cc(N4CCCC4)oc3c2)cc1.
What is the InChIKey of 6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride?
The InChIKey is BNYOGSNUJNDDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.2ClH/c1-2-6-13(7-3-1)14-10-16-15(18-12-14)11-17(20-16)19-8-4-5-9-19;;/h1-3,6-7,10-12H,4-5,8-9H2;2*1H.
What are the key properties of 6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride?
6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride has a molecular weight of 337.25 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-pyrrolidin-1-ylfuro[3,2-b]pyridine;dihydrochloride is sourced from PubChem (CID 19597556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).