7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one

C14H17NO3 — CID 106702053

IUPAC7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one
SMILESCOc1cccc2c1NC(=O)C21CCOC(C)C1
InChIInChI=1S/C14H17NO3/c1-9-8-14(6-7-18-9)10-4-3-5-11(17-2)12(10)15-13(14)16/h3-5,9H,6-8H2,1-2H3,(H,15,16)
InChIKeyMHZCCHFJLAXTIE-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.08
Rot. Bonds1

About 7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one

7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one (PubChem CID 106702053) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one.

Molecular Properties

Compound Name7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one
PubChem CID106702053
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one
SMILESCOc1cccc2c1NC(=O)C21CCOC(C)C1
InChIInChI=1S/C14H17NO3/c1-9-8-14(6-7-18-9)10-4-3-5-11(17-2)12(10)15-13(14)16/h3-5,9H,6-8H2,1-2H3,(H,15,16)
InChIKeyMHZCCHFJLAXTIE-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one?
The IUPAC name of 7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one (CID 106702053) is 7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one.
What is the SMILES notation for 7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one?
The canonical SMILES for 7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one is COc1cccc2c1NC(=O)C21CCOC(C)C1.
What is the InChIKey of 7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one?
The InChIKey is MHZCCHFJLAXTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-8-14(6-7-18-9)10-4-3-5-11(17-2)12(10)15-13(14)16/h3-5,9H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one?
7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one is sourced from PubChem (CID 106702053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).