2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone

C8H14FN3O — CID 154954739

IUPAC2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone
SMILESN/C=C\NCC(=O)N1CCC(F)C1
InChIInChI=1S/C8H14FN3O/c9-7-1-4-12(6-7)8(13)5-11-3-2-10/h2-3,7,11H,1,4-6,10H2/b3-2-
InChIKeyYTXLQFXJSPOWPX-IHWYPQMZSA-N
MW187.22 g/mol
LogP-0.42
Rot. Bonds3

About 2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone

2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone (PubChem CID 154954739) has the molecular formula C8H14FN3O and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone
PubChem CID154954739
Molecular FormulaC8H14FN3O
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Name2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone
SMILESN/C=C\NCC(=O)N1CCC(F)C1
InChIInChI=1S/C8H14FN3O/c9-7-1-4-12(6-7)8(13)5-11-3-2-10/h2-3,7,11H,1,4-6,10H2/b3-2-
InChIKeyYTXLQFXJSPOWPX-IHWYPQMZSA-N
XLogP-0.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone (CID 154954739) is 2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone is N/C=C\NCC(=O)N1CCC(F)C1.
What is the InChIKey of 2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone?
The InChIKey is YTXLQFXJSPOWPX-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H14FN3O/c9-7-1-4-12(6-7)8(13)5-11-3-2-10/h2-3,7,11H,1,4-6,10H2/b3-2-.
What are the key properties of 2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone?
2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone has a molecular weight of 187.22 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-aminoethenyl]amino]-1-(3-fluoropyrrolidin-1-yl)ethanone is sourced from PubChem (CID 154954739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).