(E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide

C7H13FN2O — CID 88976023

IUPAC(E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide
SMILESCC(C)CN/C=C(/F)C(N)=O
InChIInChI=1S/C7H13FN2O/c1-5(2)3-10-4-6(8)7(9)11/h4-5,10H,3H2,1-2H3,(H2,9,11)/b6-4+
InChIKeyZIODEVUSEBRNKE-GQCTYLIASA-N
MW160.19 g/mol
LogP0.53
Rot. Bonds4

About (E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide

(E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide (PubChem CID 88976023) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide
PubChem CID88976023
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide
SMILESCC(C)CN/C=C(/F)C(N)=O
InChIInChI=1S/C7H13FN2O/c1-5(2)3-10-4-6(8)7(9)11/h4-5,10H,3H2,1-2H3,(H2,9,11)/b6-4+
InChIKeyZIODEVUSEBRNKE-GQCTYLIASA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide?
The IUPAC name of (E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide (CID 88976023) is (E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide.
What is the SMILES notation for (E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide?
The canonical SMILES for (E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide is CC(C)CN/C=C(/F)C(N)=O.
What is the InChIKey of (E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide?
The InChIKey is ZIODEVUSEBRNKE-GQCTYLIASA-N. The full InChI is InChI=1S/C7H13FN2O/c1-5(2)3-10-4-6(8)7(9)11/h4-5,10H,3H2,1-2H3,(H2,9,11)/b6-4+.
What are the key properties of (E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide?
(E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide has a molecular weight of 160.19 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide is sourced from PubChem (CID 88976023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).