ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide

C9H17FN2O — CID 171635642

IUPACethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide
SMILESC/N=C(\C=C(/C)F)C(=O)NC.CC
InChIInChI=1S/C7H11FN2O.C2H6/c1-5(8)4-6(9-2)7(11)10-3;1-2/h4H,1-3H3,(H,10,11);1-2H3/b5-4+,9-6+;
InChIKeyLVEDDERIVYJTHK-FHKHZYDMSA-N
MW188.25 g/mol
LogP1.70
Rot. Bonds2

About ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide

ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide (PubChem CID 171635642) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide.

Molecular Properties

Compound Nameethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide
PubChem CID171635642
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Nameethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide
SMILESC/N=C(\C=C(/C)F)C(=O)NC.CC
InChIInChI=1S/C7H11FN2O.C2H6/c1-5(8)4-6(9-2)7(11)10-3;1-2/h4H,1-3H3,(H,10,11);1-2H3/b5-4+,9-6+;
InChIKeyLVEDDERIVYJTHK-FHKHZYDMSA-N
XLogP1.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide?
The IUPAC name of ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide (CID 171635642) is ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide.
What is the SMILES notation for ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide?
The canonical SMILES for ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide is C/N=C(\C=C(/C)F)C(=O)NC.CC.
What is the InChIKey of ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide?
The InChIKey is LVEDDERIVYJTHK-FHKHZYDMSA-N. The full InChI is InChI=1S/C7H11FN2O.C2H6/c1-5(8)4-6(9-2)7(11)10-3;1-2/h4H,1-3H3,(H,10,11);1-2H3/b5-4+,9-6+;.
What are the key properties of ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide?
ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide has a molecular weight of 188.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide is sourced from PubChem (CID 171635642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).