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

C15H19FN2O2 — CID 82173600

IUPAC5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(F)cc(C(N)C3CCCO3)cc21
InChIInChI=1S/C15H19FN2O2/c1-2-9-10-6-8(13(17)12-4-3-5-20-12)7-11(16)14(10)18-15(9)19/h6-7,9,12-13H,2-5,17H2,1H3,(H,18,19)
InChIKeyVIIYGHRAULLNMP-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.45
Rot. Bonds3

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

5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 82173600) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
PubChem CID82173600
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(F)cc(C(N)C3CCCO3)cc21
InChIInChI=1S/C15H19FN2O2/c1-2-9-10-6-8(13(17)12-4-3-5-20-12)7-11(16)14(10)18-15(9)19/h6-7,9,12-13H,2-5,17H2,1H3,(H,18,19)
InChIKeyVIIYGHRAULLNMP-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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Related Compounds

CID 43457656
CID 43457656
CID 80181437
CID 80181437
CID 81331165
CID 81331165
CID 81568982
CID 81568982
CID 81576125
CID 81576125
CID 82173185
CID 82173185
CID 82173188
CID 82173188
CID 82173231
CID 82173231
CID 82173234
CID 82173234
CID 82173277
CID 82173277
CID 82173280
CID 82173280
CID 82173311
CID 82173311

Frequently Asked Questions

What is the IUPAC name of 5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one (CID 82173600) is 5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c(F)cc(C(N)C3CCCO3)cc21.
What is the InChIKey of 5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is VIIYGHRAULLNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-2-9-10-6-8(13(17)12-4-3-5-20-12)7-11(16)14(10)18-15(9)19/h6-7,9,12-13H,2-5,17H2,1H3,(H,18,19).
What are the key properties of 5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-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 5-[amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).