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

C7H11FN2O — CID 171635643

IUPAC(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide
SMILESC/N=C(\C=C(/C)F)C(=O)NC
InChIInChI=1S/C7H11FN2O/c1-5(8)4-6(9-2)7(11)10-3/h4H,1-3H3,(H,10,11)/b5-4+,9-6+
InChIKeyGOQNYIWJNHPFTR-HSKKLARCSA-N
MW158.18 g/mol
LogP0.68
Rot. Bonds2

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

(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide (PubChem CID 171635643) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is (E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide.

Molecular Properties

Compound Name(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide
PubChem CID171635643
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide
SMILESC/N=C(\C=C(/C)F)C(=O)NC
InChIInChI=1S/C7H11FN2O/c1-5(8)4-6(9-2)7(11)10-3/h4H,1-3H3,(H,10,11)/b5-4+,9-6+
InChIKeyGOQNYIWJNHPFTR-HSKKLARCSA-N
XLogP0.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-methyl-2-methyliminobut-3-enamide
CID 132078787
N,3-dimethyl-2H-pyrrole-5-carboxamide
CID 68063512
(3Z)-N-methyl-2-methyliminohexa-3,5-dienamide
CID 145549418
N,2-dimethyl-2,3-dihydropyridine-6-carboxamide
CID 145562627
N,4-dimethyl-2,3-dihydropyridine-6-carboxamide
CID 163616511
(Z)-4-amino-2-ethylimino-N-methylpent-3-enamide
CID 164587902
(Z)-2-imino-N-methylhex-3-enamide
CID 166884961
ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen
CID 168913345
ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide
CID 171635642
(E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane
CID 171811478
4-amino-2-imino-N-methylpent-3-enamide
CID 173816226
N-methyl-2-methyliminobut-3-enamide
CID 142886609

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide?
The IUPAC name of (E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide (CID 171635643) is (E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide.
What is the SMILES notation for (E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide?
The canonical SMILES for (E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide is C/N=C(\C=C(/C)F)C(=O)NC.
What is the InChIKey of (E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide?
The InChIKey is GOQNYIWJNHPFTR-HSKKLARCSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-5(8)4-6(9-2)7(11)10-3/h4H,1-3H3,(H,10,11)/b5-4+,9-6+.
What are the key properties of (E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide?
(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide has a molecular weight of 158.18 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide is sourced from PubChem (CID 171635643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).