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

C12H13NO2 — CID 16720371

IUPACspiro[1H-indole-2,2'-oxane]-3-one
SMILESO=C1c2ccccc2NC12CCCCO2
InChIInChI=1S/C12H13NO2/c14-11-9-5-1-2-6-10(9)13-12(11)7-3-4-8-15-12/h1-2,5-6,13H,3-4,7-8H2
InChIKeyNFGJNRZHCMSBFE-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.19
Rot. Bonds

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

spiro[1H-indole-2,2'-oxane]-3-one (PubChem CID 16720371) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is spiro[1H-indole-2,2'-oxane]-3-one.

Molecular Properties

Compound Namespiro[1H-indole-2,2'-oxane]-3-one
PubChem CID16720371
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namespiro[1H-indole-2,2'-oxane]-3-one
SMILESO=C1c2ccccc2NC12CCCCO2
InChIInChI=1S/C12H13NO2/c14-11-9-5-1-2-6-10(9)13-12(11)7-3-4-8-15-12/h1-2,5-6,13H,3-4,7-8H2
InChIKeyNFGJNRZHCMSBFE-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-spiro[1H-indole-2,2'-oxane]-3-one
CID 129382796
spiro[1H-indole-2,2'-oxolane]-3-one
CID 130005415
spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one
CID 5151072
3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 134116644
spiro[1H-indole-2,2'-3H-thiophene]-3-one
CID 171487284
3,11-dioxabicyclo[11.4.0]heptadeca-1(17),13,15-triene-2,12-dione
CID 102529625
spiro[1H-indole-2,3'-2-benzofuran]-1',3-dione
CID 132536023
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 652743
3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
CID 3780177
3-cyclopentylspiro[1H-quinazoline-2,4'-thiane]-4-one
CID 9299993
spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride
CID 67568659

Frequently Asked Questions

What is the IUPAC name of spiro[1H-indole-2,2'-oxane]-3-one?
The IUPAC name of spiro[1H-indole-2,2'-oxane]-3-one (CID 16720371) is spiro[1H-indole-2,2'-oxane]-3-one.
What is the SMILES notation for spiro[1H-indole-2,2'-oxane]-3-one?
The canonical SMILES for spiro[1H-indole-2,2'-oxane]-3-one is O=C1c2ccccc2NC12CCCCO2.
What is the InChIKey of spiro[1H-indole-2,2'-oxane]-3-one?
The InChIKey is NFGJNRZHCMSBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-9-5-1-2-6-10(9)13-12(11)7-3-4-8-15-12/h1-2,5-6,13H,3-4,7-8H2.
What are the key properties of spiro[1H-indole-2,2'-oxane]-3-one?
spiro[1H-indole-2,2'-oxane]-3-one has a molecular weight of 203.24 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-indole-2,2'-oxane]-3-one is sourced from PubChem (CID 16720371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).