(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione

C22H21NO4 — CID 166449110

IUPAC(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione
SMILESCCCCCN1C(=O)[C@@]2(CC(=O)c3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C22H21NO4/c1-2-3-6-9-23-17-8-5-4-7-15(17)22(21(23)25)12-18(24)14-10-19-20(11-16(14)22)27-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3/t22-/m0/s1
InChIKeyUGTQLKHEIQMVBY-QFIPXVFZSA-N
MW363.41 g/mol
LogP3.82
Rot. Bonds4

About (7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione

(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione (PubChem CID 166449110) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is (7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione.

Molecular Properties

Compound Name(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione
PubChem CID166449110
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione
SMILESCCCCCN1C(=O)[C@@]2(CC(=O)c3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C22H21NO4/c1-2-3-6-9-23-17-8-5-4-7-15(17)22(21(23)25)12-18(24)14-10-19-20(11-16(14)22)27-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3/t22-/m0/s1
InChIKeyUGTQLKHEIQMVBY-QFIPXVFZSA-N
XLogP3.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione?
The IUPAC name of (7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione (CID 166449110) is (7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione.
What is the SMILES notation for (7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione?
The canonical SMILES for (7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione is CCCCCN1C(=O)[C@@]2(CC(=O)c3cc4c(cc32)OCO4)c2ccccc21.
What is the InChIKey of (7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione?
The InChIKey is UGTQLKHEIQMVBY-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21NO4/c1-2-3-6-9-23-17-8-5-4-7-15(17)22(21(23)25)12-18(24)14-10-19-20(11-16(14)22)27-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3/t22-/m0/s1.
What are the key properties of (7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione?
(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione has a molecular weight of 363.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione is sourced from PubChem (CID 166449110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).