3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one

C14H16F3N3O — CID 81302044

IUPAC3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(N)c2ccc(N(CC(F)(F)F)C3CC3)cc21
InChIInChI=1S/C14H16F3N3O/c1-19-11-6-9(4-5-10(11)12(18)13(19)21)20(8-2-3-8)7-14(15,16)17/h4-6,8,12H,2-3,7,18H2,1H3
InChIKeyRIDSGVTUILRZQU-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.19
Rot. Bonds3

About 3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one

3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one (PubChem CID 81302044) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one
PubChem CID81302044
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(N)c2ccc(N(CC(F)(F)F)C3CC3)cc21
InChIInChI=1S/C14H16F3N3O/c1-19-11-6-9(4-5-10(11)12(18)13(19)21)20(8-2-3-8)7-14(15,16)17/h4-6,8,12H,2-3,7,18H2,1H3
InChIKeyRIDSGVTUILRZQU-UHFFFAOYSA-N
XLogP2.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one (CID 81302044) is 3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one is CN1C(=O)C(N)c2ccc(N(CC(F)(F)F)C3CC3)cc21.
What is the InChIKey of 3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one?
The InChIKey is RIDSGVTUILRZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-19-11-6-9(4-5-10(11)12(18)13(19)21)20(8-2-3-8)7-14(15,16)17/h4-6,8,12H,2-3,7,18H2,1H3.
What are the key properties of 3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one?
3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one has a molecular weight of 299.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81302044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).