2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate

C12H10NO5- — CID 1247232

IUPAC2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate
SMILESO=C([O-])CN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C12H11NO5/c14-10(15)7-13-9-4-2-1-3-8(9)12(11(13)16)17-5-6-18-12/h1-4H,5-7H2,(H,14,15)/p-1
InChIKeyATVACOHMLILXBK-UHFFFAOYSA-M
MW248.21 g/mol
LogP-1.02
Rot. Bonds2

About 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate

2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate (PubChem CID 1247232) has the molecular formula C12H10NO5- and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate.

Molecular Properties

Compound Name2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate
PubChem CID1247232
Molecular FormulaC12H10NO5-
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate
SMILESO=C([O-])CN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C12H11NO5/c14-10(15)7-13-9-4-2-1-3-8(9)12(11(13)16)17-5-6-18-12/h1-4H,5-7H2,(H,14,15)/p-1
InChIKeyATVACOHMLILXBK-UHFFFAOYSA-M
XLogP-1.02
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
CID 5115291
1'-(3,3-dimethyl-2-oxobutyl)-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 3320007
ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate
CID 27276916
5-(hydroxymethyl)-1'-(morpholin-4-ylmethyl)-5-nitrospiro[1,3-dioxane-2,3'-indole]-2'-one
CID 17370126
1'-[(4-benzhydrylpiperazin-1-yl)methyl]spiro[1,3-dioxepane-2,3'-indole]-2'-one
CID 2001450
1'-[3-(3-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177799
1'-benzyl-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 142598896
5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 5036312
1'-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 6616065

Frequently Asked Questions

What is the IUPAC name of 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate?
The IUPAC name of 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate (CID 1247232) is 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate.
What is the SMILES notation for 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate?
The canonical SMILES for 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate is O=C([O-])CN1C(=O)C2(OCCO2)c2ccccc21.
What is the InChIKey of 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate?
The InChIKey is ATVACOHMLILXBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO5/c14-10(15)7-13-9-4-2-1-3-8(9)12(11(13)16)17-5-6-18-12/h1-4H,5-7H2,(H,14,15)/p-1.
What are the key properties of 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate?
2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate has a molecular weight of 248.21 g/mol, XLogP of -1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate is sourced from PubChem (CID 1247232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).