7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one

C13H17FN2O — CID 82173308

IUPAC7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCCC(N)c1cc(F)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C13H17FN2O/c1-4-10(15)8-5-7(14)6-9-11(8)16-12(17)13(9,2)3/h5-6,10H,4,15H2,1-3H3,(H,16,17)
InChIKeyCBPYICPZYXUSRP-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.47
Rot. Bonds2

About 7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one

7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one (PubChem CID 82173308) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
PubChem CID82173308
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCCC(N)c1cc(F)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C13H17FN2O/c1-4-10(15)8-5-7(14)6-9-11(8)16-12(17)13(9,2)3/h5-6,10H,4,15H2,1-3H3,(H,16,17)
InChIKeyCBPYICPZYXUSRP-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one (CID 82173308) is 7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one is CCC(N)c1cc(F)cc2c1NC(=O)C2(C)C.
What is the InChIKey of 7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is CBPYICPZYXUSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-4-10(15)8-5-7(14)6-9-11(8)16-12(17)13(9,2)3/h5-6,10H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one has a molecular weight of 236.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminopropyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82173308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).