2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one

C14H16FN3O2 — CID 138669966

IUPAC2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESNC/C(=C\F)COc1ccc2c(n1)CN(C1CC1)C2=O
InChIInChI=1S/C14H16FN3O2/c15-5-9(6-16)8-20-13-4-3-11-12(17-13)7-18(14(11)19)10-1-2-10/h3-5,10H,1-2,6-8,16H2/b9-5+
InChIKeyZZIDZDYFOHUOQF-WEVVVXLNSA-N
MW277.30 g/mol
LogP1.39
Rot. Bonds5

About 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one

2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 138669966) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID138669966
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESNC/C(=C\F)COc1ccc2c(n1)CN(C1CC1)C2=O
InChIInChI=1S/C14H16FN3O2/c15-5-9(6-16)8-20-13-4-3-11-12(17-13)7-18(14(11)19)10-1-2-10/h3-5,10H,1-2,6-8,16H2/b9-5+
InChIKeyZZIDZDYFOHUOQF-WEVVVXLNSA-N
XLogP1.39
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 138669966) is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one is NC/C(=C\F)COc1ccc2c(n1)CN(C1CC1)C2=O.
What is the InChIKey of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ZZIDZDYFOHUOQF-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-5-9(6-16)8-20-13-4-3-11-12(17-13)7-18(14(11)19)10-1-2-10/h3-5,10H,1-2,6-8,16H2/b9-5+.
What are the key properties of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one?
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 277.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 138669966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).