5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one

C13H15NO4 — CID 17380042

IUPAC5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCC1(CO)COC2(OC1)C(=O)Nc1ccccc12
InChIInChI=1S/C13H15NO4/c1-12(6-15)7-17-13(18-8-12)9-4-2-3-5-10(9)14-11(13)16/h2-5,15H,6-8H2,1H3,(H,14,16)
InChIKeyAOJLBHGUVVQKSZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.84
Rot. Bonds1

About 5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one

5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (PubChem CID 17380042) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
PubChem CID17380042
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCC1(CO)COC2(OC1)C(=O)Nc1ccccc12
InChIInChI=1S/C13H15NO4/c1-12(6-15)7-17-13(18-8-12)9-4-2-3-5-10(9)14-11(13)16/h2-5,15H,6-8H2,1H3,(H,14,16)
InChIKeyAOJLBHGUVVQKSZ-UHFFFAOYSA-N
XLogP0.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Dioxindole
CID 6097
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
4-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 2921040
Spiro(1,3-dioxolane-2,3'-(3H)indol)-2'(1'H)-one
CID 281156
5,5-dimethylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 609514
5'-fluorospiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 2856422
1'-Allyl-5'-methylspiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 781761
5-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 2972737
13-Methyl-7-prop-2-enylspiro[1,3-dioxane-2,3'-indoline]-8-one
CID 2986591
5-(hydroxymethyl)-7'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 5295811
5',7'-dimethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 7013279

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (CID 17380042) is 5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is CC1(CO)COC2(OC1)C(=O)Nc1ccccc12.
What is the InChIKey of 5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The InChIKey is AOJLBHGUVVQKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-12(6-15)7-17-13(18-8-12)9-4-2-3-5-10(9)14-11(13)16/h2-5,15H,6-8H2,1H3,(H,14,16).
What are the key properties of 5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one has a molecular weight of 249.27 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 17380042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).