spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride

C10H14Cl2N2O2 — CID 117045876

IUPACspiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride
SMILESCl.Cl.c1cnc2c(c1)OC1(CCNC1)CO2
InChIInChI=1S/C10H12N2O2.2ClH/c1-2-8-9(12-4-1)13-7-10(14-8)3-5-11-6-10;;/h1-2,4,11H,3,5-7H2;2*1H
InChIKeyFAPIVVLBIWLFAU-UHFFFAOYSA-N
MW265.14 g/mol
LogP1.43
Rot. Bonds

About spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride

spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride (PubChem CID 117045876) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride.

Molecular Properties

Compound Namespiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride
PubChem CID117045876
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Namespiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride
SMILESCl.Cl.c1cnc2c(c1)OC1(CCNC1)CO2
InChIInChI=1S/C10H12N2O2.2ClH/c1-2-8-9(12-4-1)13-7-10(14-8)3-5-11-6-10;;/h1-2,4,11H,3,5-7H2;2*1H
InChIKeyFAPIVVLBIWLFAU-UHFFFAOYSA-N
XLogP1.43
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride?
The IUPAC name of spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride (CID 117045876) is spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride.
What is the SMILES notation for spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride?
The canonical SMILES for spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride is Cl.Cl.c1cnc2c(c1)OC1(CCNC1)CO2.
What is the InChIKey of spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride?
The InChIKey is FAPIVVLBIWLFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.2ClH/c1-2-8-9(12-4-1)13-7-10(14-8)3-5-11-6-10;;/h1-2,4,11H,3,5-7H2;2*1H.
What are the key properties of spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride?
spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride has a molecular weight of 265.14 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-[1,4]dioxino[2,3-b]pyridine-2,3'-pyrrolidine];dihydrochloride is sourced from PubChem (CID 117045876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).