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

C15H19FN2O2 — CID 82173314

IUPAC7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(C(N)C3CCCO3)cc(F)cc21
InChIInChI=1S/C15H19FN2O2/c1-15(2)10-7-8(16)6-9(13(10)18-14(15)19)12(17)11-4-3-5-20-11/h6-7,11-12H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyNGCFZNAUHKODQR-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.23
Rot. Bonds2

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

7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one (PubChem CID 82173314) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one
PubChem CID82173314
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(C(N)C3CCCO3)cc(F)cc21
InChIInChI=1S/C15H19FN2O2/c1-15(2)10-7-8(16)6-9(13(10)18-14(15)19)12(17)11-4-3-5-20-11/h6-7,11-12H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyNGCFZNAUHKODQR-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 68801193
CID 68801193
CID 143635731
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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 82173308
CID 82173308
CID 82173310
CID 82173310
CID 82173311
CID 82173311
CID 82173505
CID 82173505

Frequently Asked Questions

What is the IUPAC name of 7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one (CID 82173314) is 7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2c(C(N)C3CCCO3)cc(F)cc21.
What is the InChIKey of 7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is NGCFZNAUHKODQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2)10-7-8(16)6-9(13(10)18-14(15)19)12(17)11-4-3-5-20-11/h6-7,11-12H,3-5,17H2,1-2H3,(H,18,19).
What are the key properties of 7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one?
7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one has a molecular weight of 278.33 g/mol, XLogP of 2.23, 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-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82173314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).