diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate

C22H25NO7 — CID 3236455

IUPACdiethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate
SMILESCCOC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCN(C(=O)OCC)CC1)O3
InChIInChI=1S/C22H25NO7/c1-4-27-20(25)19-13(3)17-15(29-19)6-7-16-18(17)14(24)12-22(30-16)8-10-23(11-9-22)21(26)28-5-2/h6-7H,4-5,8-12H2,1-3H3
InChIKeyCCLRXFUGTHWDSU-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.87
Rot. Bonds3

About diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate

diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate (PubChem CID 3236455) has the molecular formula C22H25NO7 and a molecular weight of 415.44 g/mol. Its IUPAC name is diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate
PubChem CID3236455
Molecular FormulaC22H25NO7
Molecular Weight415.44 g/mol
Exact Mass415.16
IUPAC Namediethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate
SMILESCCOC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCN(C(=O)OCC)CC1)O3
InChIInChI=1S/C22H25NO7/c1-4-27-20(25)19-13(3)17-15(29-19)6-7-16-18(17)14(24)12-22(30-16)8-10-23(11-9-22)21(26)28-5-2/h6-7H,4-5,8-12H2,1-3H3
InChIKeyCCLRXFUGTHWDSU-UHFFFAOYSA-N
XLogP3.87
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate?
The IUPAC name of diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate (CID 3236455) is diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate.
What is the SMILES notation for diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate?
The canonical SMILES for diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate is CCOC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCN(C(=O)OCC)CC1)O3.
What is the InChIKey of diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate?
The InChIKey is CCLRXFUGTHWDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO7/c1-4-27-20(25)19-13(3)17-15(29-19)6-7-16-18(17)14(24)12-22(30-16)8-10-23(11-9-22)21(26)28-5-2/h6-7H,4-5,8-12H2,1-3H3.
What are the key properties of diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate?
diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate has a molecular weight of 415.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate is sourced from PubChem (CID 3236455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).