1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone

C14H17NO3 — CID 10681939

IUPAC1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2C(O)C12CCC(C)O2
InChIInChI=1S/C14H17NO3/c1-9-7-8-14(18-9)13(17)11-5-3-4-6-12(11)15(14)10(2)16/h3-6,9,13,17H,7-8H2,1-2H3
InChIKeyJCFWOUMZXSKKEI-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.98
Rot. Bonds

About 1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone

1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone (PubChem CID 10681939) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone
PubChem CID10681939
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2C(O)C12CCC(C)O2
InChIInChI=1S/C14H17NO3/c1-9-7-8-14(18-9)13(17)11-5-3-4-6-12(11)15(14)10(2)16/h3-6,9,13,17H,7-8H2,1-2H3
InChIKeyJCFWOUMZXSKKEI-UHFFFAOYSA-N
XLogP1.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone (CID 10681939) is 1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone is CC(=O)N1c2ccccc2C(O)C12CCC(C)O2.
What is the InChIKey of 1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone?
The InChIKey is JCFWOUMZXSKKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-7-8-14(18-9)13(17)11-5-3-4-6-12(11)15(14)10(2)16/h3-6,9,13,17H,7-8H2,1-2H3.
What are the key properties of 1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone?
1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone has a molecular weight of 247.29 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-5'-methylspiro[3H-indole-2,2'-oxolane]-1-yl)ethanone is sourced from PubChem (CID 10681939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).