3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one

C11H14FN3O — CID 142524062

IUPAC3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one
SMILESC=CCN/C(=C(\C)F)n1cccc(N)c1=O
InChIInChI=1S/C11H14FN3O/c1-3-6-14-10(8(2)12)15-7-4-5-9(13)11(15)16/h3-5,7,14H,1,6,13H2,2H3/b10-8-
InChIKeyVWCRLPKHNIVKBT-NTMALXAHSA-N
MW223.25 g/mol
LogP1.32
Rot. Bonds4

About 3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one

3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one (PubChem CID 142524062) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one
PubChem CID142524062
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one
SMILESC=CCN/C(=C(\C)F)n1cccc(N)c1=O
InChIInChI=1S/C11H14FN3O/c1-3-6-14-10(8(2)12)15-7-4-5-9(13)11(15)16/h3-5,7,14H,1,6,13H2,2H3/b10-8-
InChIKeyVWCRLPKHNIVKBT-NTMALXAHSA-N
XLogP1.32
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one (CID 142524062) is 3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one is C=CCN/C(=C(\C)F)n1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one?
The InChIKey is VWCRLPKHNIVKBT-NTMALXAHSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-3-6-14-10(8(2)12)15-7-4-5-9(13)11(15)16/h3-5,7,14H,1,6,13H2,2H3/b10-8-.
What are the key properties of 3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one?
3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one is sourced from PubChem (CID 142524062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).