spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]

C11H15NO3 — CID 165478271

IUPACspiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]
SMILESc1cc2c(o1)C1(COCCOC1)NCC2
InChIInChI=1S/C11H15NO3/c1-3-12-11(7-13-5-6-14-8-11)10-9(1)2-4-15-10/h2,4,12H,1,3,5-8H2
InChIKeyNVDYAOCNJRIGOY-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.67
Rot. Bonds

About spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]

spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine] (PubChem CID 165478271) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine].

Molecular Properties

Compound Namespiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]
PubChem CID165478271
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namespiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]
SMILESc1cc2c(o1)C1(COCCOC1)NCC2
InChIInChI=1S/C11H15NO3/c1-3-12-11(7-13-5-6-14-8-11)10-9(1)2-4-15-10/h2,4,12H,1,3,5-8H2
InChIKeyNVDYAOCNJRIGOY-UHFFFAOYSA-N
XLogP0.67
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]?
The IUPAC name of spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine] (CID 165478271) is spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine].
What is the SMILES notation for spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]?
The canonical SMILES for spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine] is c1cc2c(o1)C1(COCCOC1)NCC2.
What is the InChIKey of spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]?
The InChIKey is NVDYAOCNJRIGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-12-11(7-13-5-6-14-8-11)10-9(1)2-4-15-10/h2,4,12H,1,3,5-8H2.
What are the key properties of spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]?
spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine] has a molecular weight of 209.24 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine] is sourced from PubChem (CID 165478271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).