7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C17H23NO3 — CID 18889438

IUPAC7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1cccc2c1N(CCC(C)C)C(=O)C21OCCCO1
InChIInChI=1S/C17H23NO3/c1-12(2)8-9-18-15-13(3)6-4-7-14(15)17(16(18)19)20-10-5-11-21-17/h4,6-7,12H,5,8-11H2,1-3H3
InChIKeyOZHGGEXGHZPPJK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.98
Rot. Bonds3

About 7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 18889438) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID18889438
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1cccc2c1N(CCC(C)C)C(=O)C21OCCCO1
InChIInChI=1S/C17H23NO3/c1-12(2)8-9-18-15-13(3)6-4-7-14(15)17(16(18)19)20-10-5-11-21-17/h4,6-7,12H,5,8-11H2,1-3H3
InChIKeyOZHGGEXGHZPPJK-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 18889438) is 7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is Cc1cccc2c1N(CCC(C)C)C(=O)C21OCCCO1.
What is the InChIKey of 7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is OZHGGEXGHZPPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)8-9-18-15-13(3)6-4-7-14(15)17(16(18)19)20-10-5-11-21-17/h4,6-7,12H,5,8-11H2,1-3H3.
What are the key properties of 7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 289.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 18889438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).