(2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one

C13H15NO2 — CID 139190764

IUPAC(2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one
SMILESCc1ccc2c(c1)N[C@]1(CCCCO1)C2=O
InChIInChI=1S/C13H15NO2/c1-9-4-5-10-11(8-9)14-13(12(10)15)6-2-3-7-16-13/h4-5,8,14H,2-3,6-7H2,1H3/t13-/m0/s1
InChIKeyIWEKXSUSWTUJBO-ZDUSSCGKSA-N
MW217.27 g/mol
LogP2.50
Rot. Bonds

About (2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one

(2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one (PubChem CID 139190764) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one.

Molecular Properties

Compound Name(2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one
PubChem CID139190764
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one
SMILESCc1ccc2c(c1)N[C@]1(CCCCO1)C2=O
InChIInChI=1S/C13H15NO2/c1-9-4-5-10-11(8-9)14-13(12(10)15)6-2-3-7-16-13/h4-5,8,14H,2-3,6-7H2,1H3/t13-/m0/s1
InChIKeyIWEKXSUSWTUJBO-ZDUSSCGKSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one?
The IUPAC name of (2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one (CID 139190764) is (2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one.
What is the SMILES notation for (2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one?
The canonical SMILES for (2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one is Cc1ccc2c(c1)N[C@]1(CCCCO1)C2=O.
What is the InChIKey of (2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one?
The InChIKey is IWEKXSUSWTUJBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-4-5-10-11(8-9)14-13(12(10)15)6-2-3-7-16-13/h4-5,8,14H,2-3,6-7H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one?
(2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one has a molecular weight of 217.27 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one is sourced from PubChem (CID 139190764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).