5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one

C16H19NO4 — CID 17383221

IUPAC5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCC(=O)N1C(=O)C2(OCC(C)(C)CO2)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-4-13(18)17-12-8-6-5-7-11(12)16(14(17)19)20-9-15(2,3)10-21-16/h5-8H,4,9-10H2,1-3H3
InChIKeyIATRAWMDARHUFO-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.20
Rot. Bonds1

About 5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one

5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 17383221) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID17383221
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCC(=O)N1C(=O)C2(OCC(C)(C)CO2)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-4-13(18)17-12-8-6-5-7-11(12)16(14(17)19)20-9-15(2,3)10-21-16/h5-8H,4,9-10H2,1-3H3
InChIKeyIATRAWMDARHUFO-UHFFFAOYSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(5,5-dimethyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)methyl]piperidine-4-carboxylate
CID 1202162
(2S)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387422
(2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387421
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate
CID 1247232
1-acetyl-3,3-diethylindol-2-one
CID 59379162
5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 5036312
4-propanoyl-1,4-benzoxazin-3-one
CID 18325679
3,3-dimethyl-1-[(2-methyloxiran-2-yl)methyl]indol-2-one
CID 87852847
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane
CID 142121679
(2R)-2-methyl-1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 704856

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 17383221) is 5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one is CCC(=O)N1C(=O)C2(OCC(C)(C)CO2)c2ccccc21.
What is the InChIKey of 5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is IATRAWMDARHUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-13(18)17-12-8-6-5-7-11(12)16(14(17)19)20-9-15(2,3)10-21-16/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one?
5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 289.33 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 17383221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).