3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one

C11H10N2O3 — CID 137208388

IUPAC3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NOCC1CO1
InChIInChI=1S/C11H10N2O3/c14-11-10(13-16-6-7-5-15-7)8-3-1-2-4-9(8)12-11/h1-4,7H,5-6H2,(H,12,13,14)
InChIKeySAXWQCIBWDQVKU-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.76
Rot. Bonds3

About 3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one

3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one (PubChem CID 137208388) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one.

Molecular Properties

Compound Name3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one
PubChem CID137208388
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NOCC1CO1
InChIInChI=1S/C11H10N2O3/c14-11-10(13-16-6-7-5-15-7)8-3-1-2-4-9(8)12-11/h1-4,7H,5-6H2,(H,12,13,14)
InChIKeySAXWQCIBWDQVKU-UHFFFAOYSA-N
XLogP0.76
TPSA63.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate
CID 136661922
3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one
CID 137187025
(E)-N-[[(2S)-oxiran-2-yl]methoxy]-2,3-dihydroinden-1-imine
CID 98552746
N-(morpholin-2-ylmethoxy)fluoren-9-imine
CID 10334632
3-[(1R,2R)-2-[(2-oxo-1H-indol-3-ylidene)amino]cyclohexyl]imino-1H-indol-2-one
CID 139084077
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
3-cyclohexylimino-1H-indol-2-one
CID 135536870
3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione
CID 135956380
(3aR,7aR)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-3a,7a-dihydroisoindole-1,3-dione
CID 135583473
3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one
CID 135582235
3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
CID 135478235
(3E)-3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
CID 135488924

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one?
The IUPAC name of 3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one (CID 137208388) is 3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one.
What is the SMILES notation for 3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one?
The canonical SMILES for 3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one is O=C1Nc2ccccc2C1=NOCC1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one?
The InChIKey is SAXWQCIBWDQVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-11-10(13-16-6-7-5-15-7)8-3-1-2-4-9(8)12-11/h1-4,7H,5-6H2,(H,12,13,14).
What are the key properties of 3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one?
3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one has a molecular weight of 218.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one is sourced from PubChem (CID 137208388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).