5'-methylspiro[1H-indole-3,3'-oxane]-2-one

C13H15NO2 — CID 142424167

IUPAC5'-methylspiro[1H-indole-3,3'-oxane]-2-one
SMILESCC1COCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C13H15NO2/c1-9-6-13(8-16-7-9)10-4-2-3-5-11(10)14-12(13)15/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeySXKJMTMZRMGOPP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds

About 5'-methylspiro[1H-indole-3,3'-oxane]-2-one

5'-methylspiro[1H-indole-3,3'-oxane]-2-one (PubChem CID 142424167) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5'-methylspiro[1H-indole-3,3'-oxane]-2-one.

Molecular Properties

Compound Name5'-methylspiro[1H-indole-3,3'-oxane]-2-one
PubChem CID142424167
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5'-methylspiro[1H-indole-3,3'-oxane]-2-one
SMILESCC1COCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C13H15NO2/c1-9-6-13(8-16-7-9)10-4-2-3-5-11(10)14-12(13)15/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeySXKJMTMZRMGOPP-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 59069770
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one
CID 154287674
5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one
CID 139424043
1'-(oxetan-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 141437837
2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one
CID 135325163
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
methanamine;spiro[1H-indole-3,3'-azanidacyclobutane]-2-one;yttrium
CID 176955340
(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide
CID 163846050
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one
CID 139424044
2-oxo-N-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 123527468

Frequently Asked Questions

What is the IUPAC name of 5'-methylspiro[1H-indole-3,3'-oxane]-2-one?
The IUPAC name of 5'-methylspiro[1H-indole-3,3'-oxane]-2-one (CID 142424167) is 5'-methylspiro[1H-indole-3,3'-oxane]-2-one.
What is the SMILES notation for 5'-methylspiro[1H-indole-3,3'-oxane]-2-one?
The canonical SMILES for 5'-methylspiro[1H-indole-3,3'-oxane]-2-one is CC1COCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 5'-methylspiro[1H-indole-3,3'-oxane]-2-one?
The InChIKey is SXKJMTMZRMGOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-6-13(8-16-7-9)10-4-2-3-5-11(10)14-12(13)15/h2-5,9H,6-8H2,1H3,(H,14,15).
What are the key properties of 5'-methylspiro[1H-indole-3,3'-oxane]-2-one?
5'-methylspiro[1H-indole-3,3'-oxane]-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methylspiro[1H-indole-3,3'-oxane]-2-one is sourced from PubChem (CID 142424167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).