4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]

C24H26ClNO3 — CID 68879522

IUPAC4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESCCCCCN1CC2(COc3cc4c(cc32)OCO4)c2c(C=CCCl)cccc21
InChIInChI=1S/C24H26ClNO3/c1-2-3-4-11-26-14-24(23-17(8-6-10-25)7-5-9-19(23)26)15-27-20-13-22-21(12-18(20)24)28-16-29-22/h5-9,12-13H,2-4,10-11,14-16H2,1H3
InChIKeyHRRJYMYRJLPLRX-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.36
Rot. Bonds6

About 4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]

4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (PubChem CID 68879522) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is 4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].

Molecular Properties

Compound Name4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
PubChem CID68879522
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Name4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESCCCCCN1CC2(COc3cc4c(cc32)OCO4)c2c(C=CCCl)cccc21
InChIInChI=1S/C24H26ClNO3/c1-2-3-4-11-26-14-24(23-17(8-6-10-25)7-5-9-19(23)26)15-27-20-13-22-21(12-18(20)24)28-16-29-22/h5-9,12-13H,2-4,10-11,14-16H2,1H3
InChIKeyHRRJYMYRJLPLRX-UHFFFAOYSA-N
XLogP5.36
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The IUPAC name of 4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (CID 68879522) is 4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].
What is the SMILES notation for 4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The canonical SMILES for 4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is CCCCCN1CC2(COc3cc4c(cc32)OCO4)c2c(C=CCCl)cccc21.
What is the InChIKey of 4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The InChIKey is HRRJYMYRJLPLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3/c1-2-3-4-11-26-14-24(23-17(8-6-10-25)7-5-9-19(23)26)15-27-20-13-22-21(12-18(20)24)28-16-29-22/h5-9,12-13H,2-4,10-11,14-16H2,1H3.
What are the key properties of 4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] has a molecular weight of 411.93 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is sourced from PubChem (CID 68879522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).