4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one

C23H24N2O4 — CID 59352543

IUPAC4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one
SMILESCN1CCOc2cc3c(cc21)OCC31C(=O)N(C[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C23H24N2O4/c1-24-8-10-28-21-11-17-20(12-19(21)24)29-14-23(17)16-6-2-3-7-18(16)25(22(23)26)13-15-5-4-9-27-15/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3/t15-,23?/m1/s1
InChIKeyBMVAYUCTZNEVDL-NKTHEXPSSA-N
MW392.46 g/mol
LogP2.72
Rot. Bonds2

About 4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one

4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one (PubChem CID 59352543) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one
PubChem CID59352543
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one
SMILESCN1CCOc2cc3c(cc21)OCC31C(=O)N(C[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C23H24N2O4/c1-24-8-10-28-21-11-17-20(12-19(21)24)29-14-23(17)16-6-2-3-7-18(16)25(22(23)26)13-15-5-4-9-27-15/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3/t15-,23?/m1/s1
InChIKeyBMVAYUCTZNEVDL-NKTHEXPSSA-N
XLogP2.72
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one?
The IUPAC name of 4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one (CID 59352543) is 4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one.
What is the SMILES notation for 4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one?
The canonical SMILES for 4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one is CN1CCOc2cc3c(cc21)OCC31C(=O)N(C[C@H]2CCCO2)c2ccccc21.
What is the InChIKey of 4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one?
The InChIKey is BMVAYUCTZNEVDL-NKTHEXPSSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-24-8-10-28-21-11-17-20(12-19(21)24)29-14-23(17)16-6-2-3-7-18(16)25(22(23)26)13-15-5-4-9-27-15/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3/t15-,23?/m1/s1.
What are the key properties of 4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one?
4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one has a molecular weight of 392.46 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one is sourced from PubChem (CID 59352543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).