(Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide

C7H13FN2O — CID 171507573

IUPAC(Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide
SMILESCNC(=O)/C(=C\F)CN(C)C
InChIInChI=1S/C7H13FN2O/c1-9-7(11)6(4-8)5-10(2)3/h4H,5H2,1-3H3,(H,9,11)/b6-4-
InChIKeyDSWOXVHVTSYROU-XQRVVYSFSA-N
MW160.19 g/mol
LogP0.15
Rot. Bonds3

About (Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide

(Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide (PubChem CID 171507573) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide
PubChem CID171507573
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide
SMILESCNC(=O)/C(=C\F)CN(C)C
InChIInChI=1S/C7H13FN2O/c1-9-7(11)6(4-8)5-10(2)3/h4H,5H2,1-3H3,(H,9,11)/b6-4-
InChIKeyDSWOXVHVTSYROU-XQRVVYSFSA-N
XLogP0.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide
CID 172623936
2-(dimethylamino)-N-methyl-2-sulfanylideneacetamide
CID 55288321
(E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide
CID 177014577
N'-[3-(dimethylamino)propyl]-N,N'-dimethyloxamide
CID 154666633
N,N'-di((113C)methyl)oxamide
CID 169438737
3-(hydroxymethyl)-4-(methylamino)-4-oxobut-2-enoic acid
CID 154089719
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
6-(dimethylamino)-N-methylhexanamide
CID 58019688
2-fluoro-N-methylbut-2-enamide
CID 76578732
(Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one
CID 91801576
(Z)-4,5-bis(dimethylamino)pent-3-en-2-one
CID 6371132
2-(dimethylamino)-N-sulfanylacetamide
CID 122523044

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide?
The IUPAC name of (Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide (CID 171507573) is (Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide?
The canonical SMILES for (Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide is CNC(=O)/C(=C\F)CN(C)C.
What is the InChIKey of (Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide?
The InChIKey is DSWOXVHVTSYROU-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-9-7(11)6(4-8)5-10(2)3/h4H,5H2,1-3H3,(H,9,11)/b6-4-.
What are the key properties of (Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide?
(Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide has a molecular weight of 160.19 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide is sourced from PubChem (CID 171507573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).