(Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide

C10H16F3N3O — CID 139506842

IUPAC(Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide
SMILESC=C(N(CC)C(=O)/C(NC)=C(\C)N)C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-5-16(7(3)10(11,12)13)9(17)8(15-4)6(2)14/h15H,3,5,14H2,1-2,4H3/b8-6-
InChIKeyRAOHUMAIOGXFIO-VURMDHGXSA-N
MW251.25 g/mol
LogP1.32
Rot. Bonds4

About (Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide

(Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide (PubChem CID 139506842) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is (Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide
PubChem CID139506842
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name(Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide
SMILESC=C(N(CC)C(=O)/C(NC)=C(\C)N)C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-5-16(7(3)10(11,12)13)9(17)8(15-4)6(2)14/h15H,3,5,14H2,1-2,4H3/b8-6-
InChIKeyRAOHUMAIOGXFIO-VURMDHGXSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide?
The IUPAC name of (Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide (CID 139506842) is (Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide.
What is the SMILES notation for (Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide?
The canonical SMILES for (Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide is C=C(N(CC)C(=O)/C(NC)=C(\C)N)C(F)(F)F.
What is the InChIKey of (Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide?
The InChIKey is RAOHUMAIOGXFIO-VURMDHGXSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-5-16(7(3)10(11,12)13)9(17)8(15-4)6(2)14/h15H,3,5,14H2,1-2,4H3/b8-6-.
What are the key properties of (Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide?
(Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide has a molecular weight of 251.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide is sourced from PubChem (CID 139506842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).