5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

C22H18ClNO4 — CID 9178120

IUPAC5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CCOc2cccc3ccccc23)c2ccc(Cl)cc2C12OCCO2
InChIInChI=1S/C22H18ClNO4/c23-16-8-9-19-18(14-16)22(27-12-13-28-22)21(25)24(19)10-11-26-20-7-3-5-15-4-1-2-6-17(15)20/h1-9,14H,10-13H2
InChIKeyDYOGDQWVBNLIRG-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.12
Rot. Bonds4

About 5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9178120) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is 5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9178120
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CCOc2cccc3ccccc23)c2ccc(Cl)cc2C12OCCO2
InChIInChI=1S/C22H18ClNO4/c23-16-8-9-19-18(14-16)22(27-12-13-28-22)21(25)24(19)10-11-26-20-7-3-5-15-4-1-2-6-17(15)20/h1-9,14H,10-13H2
InChIKeyDYOGDQWVBNLIRG-UHFFFAOYSA-N
XLogP4.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9178120) is 5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(CCOc2cccc3ccccc23)c2ccc(Cl)cc2C12OCCO2.
What is the InChIKey of 5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is DYOGDQWVBNLIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-16-8-9-19-18(14-16)22(27-12-13-28-22)21(25)24(19)10-11-26-20-7-3-5-15-4-1-2-6-17(15)20/h1-9,14H,10-13H2.
What are the key properties of 5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 395.84 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9178120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).