1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane

C14H19NO3 — CID 145125110

IUPAC1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane
SMILESCC.Cc1cccc2c1N(C)C(=O)C21OCCO1
InChIInChI=1S/C12H13NO3.C2H6/c1-8-4-3-5-9-10(8)13(2)11(14)12(9)15-6-7-16-12;1-2/h3-5H,6-7H2,1-2H3;1-2H3
InChIKeyZVBTXVOJLWFJNO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.20
Rot. Bonds

About 1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane

1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane (PubChem CID 145125110) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane.

Molecular Properties

Compound Name1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane
PubChem CID145125110
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane
SMILESCC.Cc1cccc2c1N(C)C(=O)C21OCCO1
InChIInChI=1S/C12H13NO3.C2H6/c1-8-4-3-5-9-10(8)13(2)11(14)12(9)15-6-7-16-12;1-2/h3-5H,6-7H2,1-2H3;1-2H3
InChIKeyZVBTXVOJLWFJNO-UHFFFAOYSA-N
XLogP2.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one
CID 102104060
7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177909
7'-methyl-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889438
7'-methyl-1'-[3-(4-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177923
7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 171983346
7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177931
3-(2,2-dibromoethenyl)-1,3,7-trimethylindol-2-one
CID 177474950
1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884322
7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889713
7'-chloro-1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889714
7'-chloro-1'-[3-(4-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178183
1'-[(2-butoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884320

Frequently Asked Questions

What is the IUPAC name of 1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane?
The IUPAC name of 1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane (CID 145125110) is 1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane.
What is the SMILES notation for 1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane?
The canonical SMILES for 1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane is CC.Cc1cccc2c1N(C)C(=O)C21OCCO1.
What is the InChIKey of 1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane?
The InChIKey is ZVBTXVOJLWFJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3.C2H6/c1-8-4-3-5-9-10(8)13(2)11(14)12(9)15-6-7-16-12;1-2/h3-5H,6-7H2,1-2H3;1-2H3.
What are the key properties of 1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane?
1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane has a molecular weight of 249.31 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane is sourced from PubChem (CID 145125110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).