5-fluoro-N,N-dimethylpent-2-enamide

C7H12FNO — CID 141430531

IUPAC5-fluoro-N,N-dimethylpent-2-enamide
SMILESCN(C)C(=O)C=CCCF
InChIInChI=1S/C7H12FNO/c1-9(2)7(10)5-3-4-6-8/h3,5H,4,6H2,1-2H3
InChIKeyMFQJVCPULWMBCT-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.99
Rot. Bonds3

About 5-fluoro-N,N-dimethylpent-2-enamide

5-fluoro-N,N-dimethylpent-2-enamide (PubChem CID 141430531) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethylpent-2-enamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethylpent-2-enamide
PubChem CID141430531
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name5-fluoro-N,N-dimethylpent-2-enamide
SMILESCN(C)C(=O)C=CCCF
InChIInChI=1S/C7H12FNO/c1-9(2)7(10)5-3-4-6-8/h3,5H,4,6H2,1-2H3
InChIKeyMFQJVCPULWMBCT-UHFFFAOYSA-N
XLogP0.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N,6,6-tetramethylhept-2-enamide
CID 176757797
N,N-dimethylpentadec-2-enamide
CID 123899063
(E)-N,N-dimethylpent-2-enamide;ethane
CID 162375612
(E,2S)-2-amino-7-(dimethylamino)-7-oxohept-5-enoic acid
CID 146349443
(E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide
CID 44570055
(E,2S)-7-(dimethylamino)-2-(dimethylcarbamoylamino)-7-oxohept-5-enoic acid
CID 146363470
(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide
CID 134295928
(E)-N,N-dimethyl-4-(propylamino)but-2-enamide
CID 156709508
(E)-N,N-dimethyl-4-propan-2-ylsulfonylbut-2-enamide
CID 176862470
N,N-dimethyl-7-oxohepta-2,4-dienamide
CID 137379587
(E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide
CID 102421346
N,N-dimethyldeca-2,4-dienamide
CID 123964212

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethylpent-2-enamide?
The IUPAC name of 5-fluoro-N,N-dimethylpent-2-enamide (CID 141430531) is 5-fluoro-N,N-dimethylpent-2-enamide.
What is the SMILES notation for 5-fluoro-N,N-dimethylpent-2-enamide?
The canonical SMILES for 5-fluoro-N,N-dimethylpent-2-enamide is CN(C)C(=O)C=CCCF.
What is the InChIKey of 5-fluoro-N,N-dimethylpent-2-enamide?
The InChIKey is MFQJVCPULWMBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-9(2)7(10)5-3-4-6-8/h3,5H,4,6H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethylpent-2-enamide?
5-fluoro-N,N-dimethylpent-2-enamide has a molecular weight of 145.18 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethylpent-2-enamide is sourced from PubChem (CID 141430531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).