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

C14H19FN2O — CID 82173310

IUPAC7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCCCC(N)c1cc(F)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C14H19FN2O/c1-4-5-11(16)9-6-8(15)7-10-12(9)17-13(18)14(10,2)3/h6-7,11H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyMBZRDMCABZAUSA-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.86
Rot. Bonds3

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

7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one (PubChem CID 82173310) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
PubChem CID82173310
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCCCC(N)c1cc(F)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C14H19FN2O/c1-4-5-11(16)9-6-8(15)7-10-12(9)17-13(18)14(10,2)3/h6-7,11H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyMBZRDMCABZAUSA-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one (CID 82173310) is 7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one is CCCC(N)c1cc(F)cc2c1NC(=O)C2(C)C.
What is the InChIKey of 7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is MBZRDMCABZAUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-4-5-11(16)9-6-8(15)7-10-12(9)17-13(18)14(10,2)3/h6-7,11H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one has a molecular weight of 250.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminobutyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82173310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).