2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one

C12H15F3N2O3 — CID 175800753

IUPAC2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one
SMILESCc1c2c(c(=O)n(C)c1C)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N2O.C2HF3O2/c1-6-7(2)12(3)10(13)9-5-11-4-8(6)9;3-2(4,5)1(6)7/h11H,4-5H2,1-3H3;(H,6,7)
InChIKeyGBPNZJBAQIHHPS-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.24
Rot. Bonds

About 2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one

2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one (PubChem CID 175800753) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one
PubChem CID175800753
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one
SMILESCc1c2c(c(=O)n(C)c1C)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N2O.C2HF3O2/c1-6-7(2)12(3)10(13)9-5-11-4-8(6)9;3-2(4,5)1(6)7/h11H,4-5H2,1-3H3;(H,6,7)
InChIKeyGBPNZJBAQIHHPS-UHFFFAOYSA-N
XLogP1.24
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of 2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one (CID 175800753) is 2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for 2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one is Cc1c2c(c(=O)n(C)c1C)CNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one?
The InChIKey is GBPNZJBAQIHHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C2HF3O2/c1-6-7(2)12(3)10(13)9-5-11-4-8(6)9;3-2(4,5)1(6)7/h11H,4-5H2,1-3H3;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one?
2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one has a molecular weight of 292.26 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 175800753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).