2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

C11H12N2O2 — CID 84721821

IUPAC2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)NC(=O)C21CC1N
InChIInChI=1S/C11H12N2O2/c1-15-6-2-3-7-8(4-6)13-10(14)11(7)5-9(11)12/h2-4,9H,5,12H2,1H3,(H,13,14)
InChIKeyKLIYWUSPKNFXFZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.62
Rot. Bonds1

About 2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 84721821) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID84721821
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)NC(=O)C21CC1N
InChIInChI=1S/C11H12N2O2/c1-15-6-2-3-7-8(4-6)13-10(14)11(7)5-9(11)12/h2-4,9H,5,12H2,1H3,(H,13,14)
InChIKeyKLIYWUSPKNFXFZ-UHFFFAOYSA-N
XLogP0.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2'-amino-6-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84719127
(5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
CID 139235618
2'-amino-5-hydroxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84719468
tert-butyl (3R)-6-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 125183683
(2'S,3R)-2'-(2,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905379
(2'S,3S,5'S)-1'-benzyl-5'-ethenyl-6-methoxy-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53495887
2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702102
3,3-diethyl-7-methoxy-4,5-dihydro-1H-1,5-benzodiazepin-2-one
CID 113308841
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142
(1R,5S)-1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719822
(3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 94572005
2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84726602

Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 84721821) is 2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is COc1ccc2c(c1)NC(=O)C21CC1N.
What is the InChIKey of 2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is KLIYWUSPKNFXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-6-2-3-7-8(4-6)13-10(14)11(7)5-9(11)12/h2-4,9H,5,12H2,1H3,(H,13,14).
What are the key properties of 2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 84721821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).