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

C13H15FN2O2 — CID 82173508

IUPAC5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one
SMILESNC(c1cc(F)c2c(c1)CC(=O)N2)C1CCCO1
InChIInChI=1S/C13H15FN2O2/c14-9-5-7(12(15)10-2-1-3-18-10)4-8-6-11(17)16-13(8)9/h4-5,10,12H,1-3,6,15H2,(H,16,17)
InChIKeyRAKWTFPEKUOLNX-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.50
Rot. Bonds2

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

5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 82173508) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one
PubChem CID82173508
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one
SMILESNC(c1cc(F)c2c(c1)CC(=O)N2)C1CCCO1
InChIInChI=1S/C13H15FN2O2/c14-9-5-7(12(15)10-2-1-3-18-10)4-8-6-11(17)16-13(8)9/h4-5,10,12H,1-3,6,15H2,(H,16,17)
InChIKeyRAKWTFPEKUOLNX-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one
CID 69464738
6-Fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43196322
5-Fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43196336
6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457656
6-[amino-(2-methyloxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 80181437
6-[amino-(5-methyloxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 81331165
6-[amino-(3-methyloxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 81576125
7-(1-Amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82173185
7-[Amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one
CID 82173188
7-(1-Amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173231
7-[Amino(oxolan-2-yl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173234
7-(1-Amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173277

Frequently Asked Questions

What is the IUPAC name of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one (CID 82173508) is 5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one is NC(c1cc(F)c2c(c1)CC(=O)N2)C1CCCO1.
What is the InChIKey of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is RAKWTFPEKUOLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-9-5-7(12(15)10-2-1-3-18-10)4-8-6-11(17)16-13(8)9/h4-5,10,12H,1-3,6,15H2,(H,16,17).
What are the key properties of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one?
5-[amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 250.27 g/mol, XLogP of 1.50, 2 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]-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).