6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one

C10H10FNO — CID 145486992

IUPAC6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one
SMILESC=C1C(=O)NC2=CC(F)C(C)C=C12
InChIInChI=1S/C10H10FNO/c1-5-3-7-6(2)10(13)12-9(7)4-8(5)11/h3-5,8H,2H2,1H3,(H,12,13)
InChIKeySPNQROWGXUAAQY-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.47
Rot. Bonds

About 6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one

6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one (PubChem CID 145486992) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one
PubChem CID145486992
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one
SMILESC=C1C(=O)NC2=CC(F)C(C)C=C12
InChIInChI=1S/C10H10FNO/c1-5-3-7-6(2)10(13)12-9(7)4-8(5)11/h3-5,8H,2H2,1H3,(H,12,13)
InChIKeySPNQROWGXUAAQY-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one?
The IUPAC name of 6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one (CID 145486992) is 6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one.
What is the SMILES notation for 6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one?
The canonical SMILES for 6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one is C=C1C(=O)NC2=CC(F)C(C)C=C12.
What is the InChIKey of 6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one?
The InChIKey is SPNQROWGXUAAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-5-3-7-6(2)10(13)12-9(7)4-8(5)11/h3-5,8H,2H2,1H3,(H,12,13).
What are the key properties of 6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one?
6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one has a molecular weight of 179.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one is sourced from PubChem (CID 145486992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).