1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C19H19NO4 — CID 2988892

IUPAC1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccc(CN2C(=O)C3(OCCCO3)c3ccccc32)cc1
InChIInChI=1S/C19H19NO4/c1-22-15-9-7-14(8-10-15)13-20-17-6-3-2-5-16(17)19(18(20)21)23-11-4-12-24-19/h2-3,5-10H,4,11-13H2,1H3
InChIKeyGERLUKQWGAJOSB-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.83
Rot. Bonds3

About 1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 2988892) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID2988892
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccc(CN2C(=O)C3(OCCCO3)c3ccccc32)cc1
InChIInChI=1S/C19H19NO4/c1-22-15-9-7-14(8-10-15)13-20-17-6-3-2-5-16(17)19(18(20)21)23-11-4-12-24-19/h2-3,5-10H,4,11-13H2,1H3
InChIKeyGERLUKQWGAJOSB-UHFFFAOYSA-N
XLogP2.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 2988892) is 1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is COc1ccc(CN2C(=O)C3(OCCCO3)c3ccccc32)cc1.
What is the InChIKey of 1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is GERLUKQWGAJOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-22-15-9-7-14(8-10-15)13-20-17-6-3-2-5-16(17)19(18(20)21)23-11-4-12-24-19/h2-3,5-10H,4,11-13H2,1H3.
What are the key properties of 1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 325.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 2988892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).