1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran]

C21H19NO2 — CID 19083807

IUPAC1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(oc3ccccc13)O2
InChIInChI=1S/C21H19NO2/c1-20(2)16-9-5-6-10-17(16)22(3)21(20)13-12-15-14-8-4-7-11-18(14)23-19(15)24-21/h4-13H,1-3H3
InChIKeyVJJGWBAOXFUPCD-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.96
Rot. Bonds

About 1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran]

1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran] (PubChem CID 19083807) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran].

Molecular Properties

Compound Name1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran]
PubChem CID19083807
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(oc3ccccc13)O2
InChIInChI=1S/C21H19NO2/c1-20(2)16-9-5-6-10-17(16)22(3)21(20)13-12-15-14-8-4-7-11-18(14)23-19(15)24-21/h4-13H,1-3H3
InChIKeyVJJGWBAOXFUPCD-UHFFFAOYSA-N
XLogP4.96
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran]?
The IUPAC name of 1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran] (CID 19083807) is 1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran].
What is the SMILES notation for 1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran]?
The canonical SMILES for 1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran] is CN1c2ccccc2C(C)(C)C12C=Cc1c(oc3ccccc13)O2.
What is the InChIKey of 1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran]?
The InChIKey is VJJGWBAOXFUPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-20(2)16-9-5-6-10-17(16)22(3)21(20)13-12-15-14-8-4-7-11-18(14)23-19(15)24-21/h4-13H,1-3H3.
What are the key properties of 1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran]?
1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran] has a molecular weight of 317.39 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylspiro[indole-2,2'-pyrano[2,3-b][1]benzofuran] is sourced from PubChem (CID 19083807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).