8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene]

C22H25NO2 — CID 67660018

IUPAC8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene]
SMILESCOC(CC(C)C)c1cccc2c1OC1(C=C2)Cc2ccccc2N1
InChIInChI=1S/C22H25NO2/c1-15(2)13-20(24-3)18-9-6-8-16-11-12-22(25-21(16)18)14-17-7-4-5-10-19(17)23-22/h4-12,15,20,23H,13-14H2,1-3H3
InChIKeyPNNQWIJUNMZJDX-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.19
Rot. Bonds4

About 8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene]

8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene] (PubChem CID 67660018) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene].

Molecular Properties

Compound Name8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene]
PubChem CID67660018
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene]
SMILESCOC(CC(C)C)c1cccc2c1OC1(C=C2)Cc2ccccc2N1
InChIInChI=1S/C22H25NO2/c1-15(2)13-20(24-3)18-9-6-8-16-11-12-22(25-21(16)18)14-17-7-4-5-10-19(17)23-22/h4-12,15,20,23H,13-14H2,1-3H3
InChIKeyPNNQWIJUNMZJDX-UHFFFAOYSA-N
XLogP5.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene]?
The IUPAC name of 8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene] (CID 67660018) is 8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene].
What is the SMILES notation for 8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene]?
The canonical SMILES for 8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene] is COC(CC(C)C)c1cccc2c1OC1(C=C2)Cc2ccccc2N1.
What is the InChIKey of 8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene]?
The InChIKey is PNNQWIJUNMZJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-15(2)13-20(24-3)18-9-6-8-16-11-12-22(25-21(16)18)14-17-7-4-5-10-19(17)23-22/h4-12,15,20,23H,13-14H2,1-3H3.
What are the key properties of 8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene]?
8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene] has a molecular weight of 335.45 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene] is sourced from PubChem (CID 67660018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).