(E)-4-(dimethylamino)but-2-enamide;methane

C7H16N2O — CID 155781638

IUPAC(E)-4-(dimethylamino)but-2-enamide;methane
SMILESC.CN(C)C/C=C/C(N)=O
InChIInChI=1S/C6H12N2O.CH4/c1-8(2)5-3-4-6(7)9;/h3-4H,5H2,1-2H3,(H2,7,9);1H4/b4-3+;
InChIKeyKGUZJHZYRSRZSS-BJILWQEISA-N
MW144.22 g/mol
LogP0.23
Rot. Bonds3

About (E)-4-(dimethylamino)but-2-enamide;methane

(E)-4-(dimethylamino)but-2-enamide;methane (PubChem CID 155781638) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (E)-4-(dimethylamino)but-2-enamide;methane.

Molecular Properties

Compound Name(E)-4-(dimethylamino)but-2-enamide;methane
PubChem CID155781638
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(E)-4-(dimethylamino)but-2-enamide;methane
SMILESC.CN(C)C/C=C/C(N)=O
InChIInChI=1S/C6H12N2O.CH4/c1-8(2)5-3-4-6(7)9;/h3-4H,5H2,1-2H3,(H2,7,9);1H4/b4-3+;
InChIKeyKGUZJHZYRSRZSS-BJILWQEISA-N
XLogP0.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.23
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

4-(dimethylamino)but-2-enamide;hydrochloride
CID 175776064
acetylene;(E)-4-(dimethylamino)but-2-enamide;(3S)-N-methylpyrrolidin-3-amine
CID 142279034
4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide
CID 123403461
sodium;ethyl (E)-4-(dimethylamino)but-2-enoate;hydroxide
CID 174912002
(E)-4-bromobut-2-enamide;ethane
CID 145199796
acetamide;hepta-2,5-dienediamide
CID 174662620
propan-2-yl (E)-4-(dimethylamino)but-2-enoate
CID 143826764
(E)-7-(dimethylamino)-4-oxohept-5-enal
CID 171529759
5-oxohex-2-enamide
CID 53395079
(E)-4-oxohex-2-enamide
CID 153226355
4-aminobut-2-enamide;hydrochloride
CID 171148089
(E)-hex-2-enamide;hydrochloride
CID 141291310

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)but-2-enamide;methane?
The IUPAC name of (E)-4-(dimethylamino)but-2-enamide;methane (CID 155781638) is (E)-4-(dimethylamino)but-2-enamide;methane.
What is the SMILES notation for (E)-4-(dimethylamino)but-2-enamide;methane?
The canonical SMILES for (E)-4-(dimethylamino)but-2-enamide;methane is C.CN(C)C/C=C/C(N)=O.
What is the InChIKey of (E)-4-(dimethylamino)but-2-enamide;methane?
The InChIKey is KGUZJHZYRSRZSS-BJILWQEISA-N. The full InChI is InChI=1S/C6H12N2O.CH4/c1-8(2)5-3-4-6(7)9;/h3-4H,5H2,1-2H3,(H2,7,9);1H4/b4-3+;.
What are the key properties of (E)-4-(dimethylamino)but-2-enamide;methane?
(E)-4-(dimethylamino)but-2-enamide;methane has a molecular weight of 144.22 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)but-2-enamide;methane is sourced from PubChem (CID 155781638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).