2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one

C11H12N2O2 — CID 84721818

IUPAC2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCN1C(=O)C2(CC2N)c2cccc(O)c21
InChIInChI=1S/C11H12N2O2/c1-13-9-6(3-2-4-7(9)14)11(10(13)15)5-8(11)12/h2-4,8,14H,5,12H2,1H3
InChIKeyXEWMMRQISBYFPR-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.34
Rot. Bonds

About 2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one

2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 84721818) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID84721818
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCN1C(=O)C2(CC2N)c2cccc(O)c21
InChIInChI=1S/C11H12N2O2/c1-13-9-6(3-2-4-7(9)14)11(10(13)15)5-8(11)12/h2-4,8,14H,5,12H2,1H3
InChIKeyXEWMMRQISBYFPR-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (CID 84721818) is 2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is CN1C(=O)C2(CC2N)c2cccc(O)c21.
What is the InChIKey of 2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is XEWMMRQISBYFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-9-6(3-2-4-7(9)14)11(10(13)15)5-8(11)12/h2-4,8,14H,5,12H2,1H3.
What are the key properties of 2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 204.23 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7'-hydroxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 84721818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).