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

C23H21NO4 — CID 9177856

IUPAC5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)C1(OCCO1)C(=O)N2CCOc1cccc2ccccc12
InChIInChI=1S/C23H21NO4/c1-16-9-10-20-19(15-16)23(27-13-14-28-23)22(25)24(20)11-12-26-21-8-4-6-17-5-2-3-7-18(17)21/h2-10,15H,11-14H2,1H3
InChIKeyWTJSAAFGGSQRPG-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.77
Rot. Bonds4

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

5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9177856) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9177856
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)C1(OCCO1)C(=O)N2CCOc1cccc2ccccc12
InChIInChI=1S/C23H21NO4/c1-16-9-10-20-19(15-16)23(27-13-14-28-23)22(25)24(20)11-12-26-21-8-4-6-17-5-2-3-7-18(17)21/h2-10,15H,11-14H2,1H3
InChIKeyWTJSAAFGGSQRPG-UHFFFAOYSA-N
XLogP3.77
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178120
5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177844
5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177851
5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 6457027
1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884281
7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177931
1'-[3-(4-methoxyphenoxy)propyl]-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177863
5'-chloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178118
5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178297
1'-[3-(3-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177799
1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161643
5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 690354

Frequently Asked Questions

What is the IUPAC name of 5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9177856) is 5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is Cc1ccc2c(c1)C1(OCCO1)C(=O)N2CCOc1cccc2ccccc12.
What is the InChIKey of 5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is WTJSAAFGGSQRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-16-9-10-20-19(15-16)23(27-13-14-28-23)22(25)24(20)11-12-26-21-8-4-6-17-5-2-3-7-18(17)21/h2-10,15H,11-14H2,1H3.
What are the key properties of 5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 375.42 g/mol, XLogP of 3.77, 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-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).