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

C14H17FN2O2 — CID 82173554

IUPAC5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(F)cc(C(N)C3CCCO3)cc21
InChIInChI=1S/C14H17FN2O2/c1-7-9-5-8(12(16)11-3-2-4-19-11)6-10(15)13(9)17-14(7)18/h5-7,11-12H,2-4,16H2,1H3,(H,17,18)
InChIKeyNRRJMKGBOIAYFZ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.06
Rot. Bonds2

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

5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173554) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173554
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(F)cc(C(N)C3CCCO3)cc21
InChIInChI=1S/C14H17FN2O2/c1-7-9-5-8(12(16)11-3-2-4-19-11)6-10(15)13(9)17-14(7)18/h5-7,11-12H,2-4,16H2,1H3,(H,17,18)
InChIKeyNRRJMKGBOIAYFZ-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one (CID 82173554) is 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2c(F)cc(C(N)C3CCCO3)cc21.
What is the InChIKey of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is NRRJMKGBOIAYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-7-9-5-8(12(16)11-3-2-4-19-11)6-10(15)13(9)17-14(7)18/h5-7,11-12H,2-4,16H2,1H3,(H,17,18).
What are the key properties of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one?
5-[amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 264.30 g/mol, XLogP of 2.06, 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-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).