spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one

C15H17NO3 — CID 141310004

IUPACspiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one
SMILESO=C1OC2(CCOCC2)C2=C3C=CC=CC3NCC12
InChIInChI=1S/C15H17NO3/c17-14-11-9-16-12-4-2-1-3-10(12)13(11)15(19-14)5-7-18-8-6-15/h1-4,11-12,16H,5-9H2
InChIKeyRPOYYUOKRSVKCG-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.10
Rot. Bonds

About spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one

spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one (PubChem CID 141310004) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one.

Molecular Properties

Compound Namespiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one
PubChem CID141310004
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Namespiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one
SMILESO=C1OC2(CCOCC2)C2=C3C=CC=CC3NCC12
InChIInChI=1S/C15H17NO3/c17-14-11-9-16-12-4-2-1-3-10(12)13(11)15(19-14)5-7-18-8-6-15/h1-4,11-12,16H,5-9H2
InChIKeyRPOYYUOKRSVKCG-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one?
The IUPAC name of spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one (CID 141310004) is spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one.
What is the SMILES notation for spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one?
The canonical SMILES for spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one is O=C1OC2(CCOCC2)C2=C3C=CC=CC3NCC12.
What is the InChIKey of spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one?
The InChIKey is RPOYYUOKRSVKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14-11-9-16-12-4-2-1-3-10(12)13(11)15(19-14)5-7-18-8-6-15/h1-4,11-12,16H,5-9H2.
What are the key properties of spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one?
spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one has a molecular weight of 259.30 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3a,4,5,5a-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-one is sourced from PubChem (CID 141310004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).