1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C20H21NO3 — CID 3238323

IUPAC1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1ccc(C)c(CN2C(=O)C3(OCCCO3)c3ccccc32)c1
InChIInChI=1S/C20H21NO3/c1-14-8-9-15(2)16(12-14)13-21-18-7-4-3-6-17(18)20(19(21)22)23-10-5-11-24-20/h3-4,6-9,12H,5,10-11,13H2,1-2H3
InChIKeyUZCSHZCAEXCBSD-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.44
Rot. Bonds2

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

1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 3238323) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID3238323
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1ccc(C)c(CN2C(=O)C3(OCCCO3)c3ccccc32)c1
InChIInChI=1S/C20H21NO3/c1-14-8-9-15(2)16(12-14)13-21-18-7-4-3-6-17(18)20(19(21)22)23-10-5-11-24-20/h3-4,6-9,12H,5,10-11,13H2,1-2H3
InChIKeyUZCSHZCAEXCBSD-UHFFFAOYSA-N
XLogP3.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
13-Methyl-7-prop-2-enylspiro[1,3-dioxane-2,3'-indoline]-8-one
CID 2986591
(5'-methyl-2'-oxospiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)acetonitrile
CID 16456966
5,5-dimethyl-1'-(4-morpholinylmethyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 568007
5-Ethyl-5-methylspiro[1,3-dioxane-2,3'-indoline]-8-one
CID 577292
N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)acetamide
CID 1249916
1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 3245741

Frequently Asked Questions

What is the IUPAC name of 1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 3238323) is 1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is Cc1ccc(C)c(CN2C(=O)C3(OCCCO3)c3ccccc32)c1.
What is the InChIKey of 1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is UZCSHZCAEXCBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14-8-9-15(2)16(12-14)13-21-18-7-4-3-6-17(18)20(19(21)22)23-10-5-11-24-20/h3-4,6-9,12H,5,10-11,13H2,1-2H3.
What are the key properties of 1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 323.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,5-dimethylphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 3238323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).