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

C15H19FN2O2 — CID 82173634

IUPAC5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(F)cc(C(N)C3CCCO3)cc21
InChIInChI=1S/C15H19FN2O2/c1-15(2)9-6-8(12(17)11-4-3-5-20-11)7-10(16)13(9)18-14(15)19/h6-7,11-12H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyGOMRKOWFBCFZDZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.23
Rot. Bonds2

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

5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one (PubChem CID 82173634) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one
PubChem CID82173634
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(F)cc(C(N)C3CCCO3)cc21
InChIInChI=1S/C15H19FN2O2/c1-15(2)9-6-8(12(17)11-4-3-5-20-11)7-10(16)13(9)18-14(15)19/h6-7,11-12H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyGOMRKOWFBCFZDZ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one (CID 82173634) is 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2c(F)cc(C(N)C3CCCO3)cc21.
What is the InChIKey of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is GOMRKOWFBCFZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2)9-6-8(12(17)11-4-3-5-20-11)7-10(16)13(9)18-14(15)19/h6-7,11-12H,3-5,17H2,1-2H3,(H,18,19).
What are the key properties of 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one?
5-[amino(oxolan-2-yl)methyl]-7-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 5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82173634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).