7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one

C15H19FN2O2 — CID 82173280

IUPAC7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(F)cc2C(N)C1CCCO1
InChIInChI=1S/C15H19FN2O2/c1-2-9-10-6-8(16)7-11(14(10)18-15(9)19)13(17)12-4-3-5-20-12/h6-7,9,12-13H,2-5,17H2,1H3,(H,18,19)
InChIKeyVTLLELNWDRHBKV-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.45
Rot. Bonds3

About 7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one

7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 82173280) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
PubChem CID82173280
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(F)cc2C(N)C1CCCO1
InChIInChI=1S/C15H19FN2O2/c1-2-9-10-6-8(16)7-11(14(10)18-15(9)19)13(17)12-4-3-5-20-12/h6-7,9,12-13H,2-5,17H2,1H3,(H,18,19)
InChIKeyVTLLELNWDRHBKV-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one (CID 82173280) is 7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c1cc(F)cc2C(N)C1CCCO1.
What is the InChIKey of 7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is VTLLELNWDRHBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-2-9-10-6-8(16)7-11(14(10)18-15(9)19)13(17)12-4-3-5-20-12/h6-7,9,12-13H,2-5,17H2,1H3,(H,18,19).
What are the key properties of 7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 278.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino(oxolan-2-yl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).