3-diazo-5-fluoro-1-propan-2-ylindol-2-one

C11H10FN3O — CID 154710480

IUPAC3-diazo-5-fluoro-1-propan-2-ylindol-2-one
SMILESCC(C)N1C(=O)C(=[N+]=[N-])c2cc(F)ccc21
InChIInChI=1S/C11H10FN3O/c1-6(2)15-9-4-3-7(12)5-8(9)10(14-13)11(15)16/h3-6H,1-2H3
InChIKeyRZECXWWWUYIKCV-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.60
Rot. Bonds1

About 3-diazo-5-fluoro-1-propan-2-ylindol-2-one

3-diazo-5-fluoro-1-propan-2-ylindol-2-one (PubChem CID 154710480) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-diazo-5-fluoro-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name3-diazo-5-fluoro-1-propan-2-ylindol-2-one
PubChem CID154710480
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name3-diazo-5-fluoro-1-propan-2-ylindol-2-one
SMILESCC(C)N1C(=O)C(=[N+]=[N-])c2cc(F)ccc21
InChIInChI=1S/C11H10FN3O/c1-6(2)15-9-4-3-7(12)5-8(9)10(14-13)11(15)16/h3-6H,1-2H3
InChIKeyRZECXWWWUYIKCV-UHFFFAOYSA-N
XLogP1.60
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-Methyloxindole
CID 6096
N-Ethyloxindole
CID 66135
3-(4-Fluoroanilino)indol-2-one
CID 135478724
1'-Methylspiro[benzimidazole-2,3'-indole]-2'-one
CID 659228
2-Indolinone, 3-(methylimino)-
CID 135522218
1-Methyl-3-[(methylphenylamino)azamethylene]benzo[d]azolin-2-one
CID 5331878
3-[(acetyloxy)imino]-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
CID 9581782
1-(2-Propynyl)-3-{[3-(trifluoromethyl)phenyl]azamethylene}benzo[d]azolidin-2-one
CID 11544426
1-(Ethylpropyl)-3-{[3-(trifluoromethyl)phenyl]azamethylene}benzo[d]azolidin-2-one
CID 44412817
7-[(3E)-5-fluoro-3-methoxyimino-2-oxoindol-1-yl]-N-hydroxyheptanamide
CID 76317088
N-hydroxy-7-[(3E)-3-methoxyimino-2-oxoindol-1-yl]heptanamide
CID 76324463
3-[4-(Diethylamino)anilino]indol-2-one
CID 135437679

Frequently Asked Questions

What is the IUPAC name of 3-diazo-5-fluoro-1-propan-2-ylindol-2-one?
The IUPAC name of 3-diazo-5-fluoro-1-propan-2-ylindol-2-one (CID 154710480) is 3-diazo-5-fluoro-1-propan-2-ylindol-2-one.
What is the SMILES notation for 3-diazo-5-fluoro-1-propan-2-ylindol-2-one?
The canonical SMILES for 3-diazo-5-fluoro-1-propan-2-ylindol-2-one is CC(C)N1C(=O)C(=[N+]=[N-])c2cc(F)ccc21.
What is the InChIKey of 3-diazo-5-fluoro-1-propan-2-ylindol-2-one?
The InChIKey is RZECXWWWUYIKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-6(2)15-9-4-3-7(12)5-8(9)10(14-13)11(15)16/h3-6H,1-2H3.
What are the key properties of 3-diazo-5-fluoro-1-propan-2-ylindol-2-one?
3-diazo-5-fluoro-1-propan-2-ylindol-2-one has a molecular weight of 219.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-5-fluoro-1-propan-2-ylindol-2-one is sourced from PubChem (CID 154710480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).