5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

C19H19NO4 — CID 9177844

IUPAC5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)C1(OCCO1)C(=O)N2CCOc1ccccc1
InChIInChI=1S/C19H19NO4/c1-14-7-8-17-16(13-14)19(23-11-12-24-19)18(21)20(17)9-10-22-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyCFQXLGOPJAIZIT-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.62
Rot. Bonds4

About 5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9177844) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9177844
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)C1(OCCO1)C(=O)N2CCOc1ccccc1
InChIInChI=1S/C19H19NO4/c1-14-7-8-17-16(13-14)19(23-11-12-24-19)18(21)20(17)9-10-22-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyCFQXLGOPJAIZIT-UHFFFAOYSA-N
XLogP2.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9177844) is 5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is Cc1ccc2c(c1)C1(OCCO1)C(=O)N2CCOc1ccccc1.
What is the InChIKey of 5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is CFQXLGOPJAIZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-14-7-8-17-16(13-14)19(23-11-12-24-19)18(21)20(17)9-10-22-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 325.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).