1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one

C13H13NO3 — CID 3048860

IUPAC1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one
SMILESCOc1ccc2c(c1)C(=O)C1(CC1)N2C(C)=O
InChIInChI=1S/C13H13NO3/c1-8(15)14-11-4-3-9(17-2)7-10(11)12(16)13(14)5-6-13/h3-4,7H,5-6H2,1-2H3
InChIKeyNJRZMKTYHFMMFD-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.78
Rot. Bonds1

About 1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one

1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one (PubChem CID 3048860) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one.

Molecular Properties

Compound Name1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one
PubChem CID3048860
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one
SMILESCOc1ccc2c(c1)C(=O)C1(CC1)N2C(C)=O
InChIInChI=1S/C13H13NO3/c1-8(15)14-11-4-3-9(17-2)7-10(11)12(16)13(14)5-6-13/h3-4,7H,5-6H2,1-2H3
InChIKeyNJRZMKTYHFMMFD-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one?
The IUPAC name of 1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one (CID 3048860) is 1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one.
What is the SMILES notation for 1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one?
The canonical SMILES for 1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one is COc1ccc2c(c1)C(=O)C1(CC1)N2C(C)=O.
What is the InChIKey of 1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one?
The InChIKey is NJRZMKTYHFMMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8(15)14-11-4-3-9(17-2)7-10(11)12(16)13(14)5-6-13/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one?
1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one has a molecular weight of 231.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one is sourced from PubChem (CID 3048860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).