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

C19H19NO3 — CID 3238951

IUPAC1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1ccccc1CN1C(=O)C2(OCCCO2)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-14-7-2-3-8-15(14)13-20-17-10-5-4-9-16(17)19(18(20)21)22-11-6-12-23-19/h2-5,7-10H,6,11-13H2,1H3
InChIKeyWDVLGSGAWYHFNN-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.13
Rot. Bonds2

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

1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 3238951) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID3238951
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1ccccc1CN1C(=O)C2(OCCCO2)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-14-7-2-3-8-15(14)13-20-17-10-5-4-9-16(17)19(18(20)21)22-11-6-12-23-19/h2-5,7-10H,6,11-13H2,1H3
InChIKeyWDVLGSGAWYHFNN-UHFFFAOYSA-N
XLogP3.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione
CID 644733
5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 583365
3-(2'-Oxospiro[[1,3]dioxolane-2,3'-indolin]-1'-yl)propanenitrile
CID 600599
1'-Allyl-5'-methylspiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 690354
4-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 2921040
5,5-dimethylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 609514
6-Prop-2-ynylspiro[1,3-dioxolane-2,3'-indoline]-7-one
CID 699047
1'-[(2-Chloro-4-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 4139750
1'-Allyl-5'-methylspiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 781761
Ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate
CID 1110230
13-Methyl-7-prop-2-enylspiro[1,3-dioxane-2,3'-indoline]-8-one
CID 2986591
11-Bromo-7-(methylethyl)spiro[1,3-dioxane-2,3'-indoline]-8-one
CID 9177572

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 3238951) is 1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is Cc1ccccc1CN1C(=O)C2(OCCCO2)c2ccccc21.
What is the InChIKey of 1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is WDVLGSGAWYHFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14-7-2-3-8-15(14)13-20-17-10-5-4-9-16(17)19(18(20)21)22-11-6-12-23-19/h2-5,7-10H,6,11-13H2,1H3.
What are the key properties of 1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 309.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-methylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 3238951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).