2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one

C13H16N2O2 — CID 84726602

IUPAC2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)N(C)C(=O)C21CC1CN
InChIInChI=1S/C13H16N2O2/c1-15-11-5-9(17-2)3-4-10(11)13(12(15)16)6-8(13)7-14/h3-5,8H,6-7,14H2,1-2H3
InChIKeyCFDYRWPEPFRZIR-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.89
Rot. Bonds2

About 2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one

2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 84726602) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID84726602
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)N(C)C(=O)C21CC1CN
InChIInChI=1S/C13H16N2O2/c1-15-11-5-9(17-2)3-4-10(11)13(12(15)16)6-8(13)7-14/h3-5,8H,6-7,14H2,1-2H3
InChIKeyCFDYRWPEPFRZIR-UHFFFAOYSA-N
XLogP0.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129
2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84721821
6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione
CID 156772245
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
CID 68674859
3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one
CID 177493075
ethyl 3-fluoro-5-methoxy-1-methyl-2-oxoindole-3-carboxylate
CID 162342797
2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate
CID 15982399
(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methanamine
CID 79247847
2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
CID 24950980
1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione
CID 68674815

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (CID 84726602) is 2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is COc1ccc2c(c1)N(C)C(=O)C21CC1CN.
What is the InChIKey of 2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is CFDYRWPEPFRZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15-11-5-9(17-2)3-4-10(11)13(12(15)16)6-8(13)7-14/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 232.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 84726602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).