(E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide

C10H15FN2O — CID 155259600

IUPAC(E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide
SMILESC=C(C)NC(=C)/C(=C\C(C)F)C(N)=O
InChIInChI=1S/C10H15FN2O/c1-6(2)13-8(4)9(10(12)14)5-7(3)11/h5,7,13H,1,4H2,2-3H3,(H2,12,14)/b9-5+
InChIKeyMHQFZATWOPVUGI-WEVVVXLNSA-N
MW198.24 g/mol
LogP1.39
Rot. Bonds5

About (E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide

(E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide (PubChem CID 155259600) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is (E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide
PubChem CID155259600
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name(E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide
SMILESC=C(C)NC(=C)/C(=C\C(C)F)C(N)=O
InChIInChI=1S/C10H15FN2O/c1-6(2)13-8(4)9(10(12)14)5-7(3)11/h5,7,13H,1,4H2,2-3H3,(H2,12,14)/b9-5+
InChIKeyMHQFZATWOPVUGI-WEVVVXLNSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide?
The IUPAC name of (E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide (CID 155259600) is (E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide.
What is the SMILES notation for (E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide?
The canonical SMILES for (E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide is C=C(C)NC(=C)/C(=C\C(C)F)C(N)=O.
What is the InChIKey of (E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide?
The InChIKey is MHQFZATWOPVUGI-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-6(2)13-8(4)9(10(12)14)5-7(3)11/h5,7,13H,1,4H2,2-3H3,(H2,12,14)/b9-5+.
What are the key properties of (E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide?
(E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide has a molecular weight of 198.24 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-2-[1-(prop-1-en-2-ylamino)ethenyl]pent-2-enamide is sourced from PubChem (CID 155259600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).