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

C13H15FN2O2 — CID 82173188

IUPAC7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one
SMILESNC(c1cc(F)cc2c1NC(=O)C2)C1CCCO1
InChIInChI=1S/C13H15FN2O2/c14-8-4-7-5-11(17)16-13(7)9(6-8)12(15)10-2-1-3-18-10/h4,6,10,12H,1-3,5,15H2,(H,16,17)
InChIKeyGULWJPWORLXJQI-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.50
Rot. Bonds2

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

7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 82173188) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one
PubChem CID82173188
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one
SMILESNC(c1cc(F)cc2c1NC(=O)C2)C1CCCO1
InChIInChI=1S/C13H15FN2O2/c14-8-4-7-5-11(17)16-13(7)9(6-8)12(15)10-2-1-3-18-10/h4,6,10,12H,1-3,5,15H2,(H,16,17)
InChIKeyGULWJPWORLXJQI-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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Frequently Asked Questions

What is the IUPAC name of 7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one (CID 82173188) is 7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one is NC(c1cc(F)cc2c1NC(=O)C2)C1CCCO1.
What is the InChIKey of 7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is GULWJPWORLXJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-8-4-7-5-11(17)16-13(7)9(6-8)12(15)10-2-1-3-18-10/h4,6,10,12H,1-3,5,15H2,(H,16,17).
What are the key properties of 7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one?
7-[amino(oxolan-2-yl)methyl]-5-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 7-[amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).