1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone

C13H15NO — CID 175752740

IUPAC1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone
SMILES[2H]C1(C(C)=O)N(C)c2ccccc2C12CC2
InChIInChI=1S/C13H15NO/c1-9(15)12-13(7-8-13)10-5-3-4-6-11(10)14(12)2/h3-6,12H,7-8H2,1-2H3/i12D
InChIKeyWDYMLCVGBRMOGZ-UQBWLURTSA-N
MW202.28 g/mol
LogP2.13
Rot. Bonds1

About 1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone

1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone (PubChem CID 175752740) has the molecular formula C13H15NO and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone.

Molecular Properties

Compound Name1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone
PubChem CID175752740
Molecular FormulaC13H15NO
Molecular Weight202.28 g/mol
Exact Mass202.12
IUPAC Name1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone
SMILES[2H]C1(C(C)=O)N(C)c2ccccc2C12CC2
InChIInChI=1S/C13H15NO/c1-9(15)12-13(7-8-13)10-5-3-4-6-11(10)14(12)2/h3-6,12H,7-8H2,1-2H3/i12D
InChIKeyWDYMLCVGBRMOGZ-UQBWLURTSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone?
The IUPAC name of 1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone (CID 175752740) is 1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone.
What is the SMILES notation for 1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone?
The canonical SMILES for 1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone is [2H]C1(C(C)=O)N(C)c2ccccc2C12CC2.
What is the InChIKey of 1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone?
The InChIKey is WDYMLCVGBRMOGZ-UQBWLURTSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(15)12-13(7-8-13)10-5-3-4-6-11(10)14(12)2/h3-6,12H,7-8H2,1-2H3/i12D.
What are the key properties of 1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone?
1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone has a molecular weight of 202.28 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone is sourced from PubChem (CID 175752740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).