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

C12H17NO2 — CID 165477658

IUPACspiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane]
SMILESc1cc2c(o1)C1(CCCOCC1)NCC2
InChIInChI=1S/C12H17NO2/c1-4-12(5-9-14-7-1)11-10(2-6-13-12)3-8-15-11/h3,8,13H,1-2,4-7,9H2
InChIKeyHBKVEDNNHHBYOA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.82
Rot. Bonds

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

spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane] (PubChem CID 165477658) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane].

Molecular Properties

Compound Namespiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane]
PubChem CID165477658
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namespiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane]
SMILESc1cc2c(o1)C1(CCCOCC1)NCC2
InChIInChI=1S/C12H17NO2/c1-4-12(5-9-14-7-1)11-10(2-6-13-12)3-8-15-11/h3,8,13H,1-2,4-7,9H2
InChIKeyHBKVEDNNHHBYOA-UHFFFAOYSA-N
XLogP1.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane]?
The IUPAC name of spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane] (CID 165477658) is spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane].
What is the SMILES notation for spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane]?
The canonical SMILES for spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane] is c1cc2c(o1)C1(CCCOCC1)NCC2.
What is the InChIKey of spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane]?
The InChIKey is HBKVEDNNHHBYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-12(5-9-14-7-1)11-10(2-6-13-12)3-8-15-11/h3,8,13H,1-2,4-7,9H2.
What are the key properties of spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane]?
spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane] has a molecular weight of 207.27 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane] is sourced from PubChem (CID 165477658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).