3-(dimethylamino)-2-methylbut-2-enamide

C7H14N2O — CID 140503837

IUPAC3-(dimethylamino)-2-methylbut-2-enamide
SMILESCC(C(N)=O)=C(C)N(C)C
InChIInChI=1S/C7H14N2O/c1-5(7(8)10)6(2)9(3)4/h1-4H3,(H2,8,10)
InChIKeyCEQSXPXVPIAMNR-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.33
Rot. Bonds2

About 3-(dimethylamino)-2-methylbut-2-enamide

3-(dimethylamino)-2-methylbut-2-enamide (PubChem CID 140503837) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylbut-2-enamide.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylbut-2-enamide
PubChem CID140503837
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-(dimethylamino)-2-methylbut-2-enamide
SMILESCC(C(N)=O)=C(C)N(C)C
InChIInChI=1S/C7H14N2O/c1-5(7(8)10)6(2)9(3)4/h1-4H3,(H2,8,10)
InChIKeyCEQSXPXVPIAMNR-UHFFFAOYSA-N
XLogP0.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.33
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

3,3-dihydroxy-2-methylprop-2-enamide
CID 23369191
(E)-3-hydroxy-2-methylbut-2-enamide
CID 87140433
N,N,3,4,5-pentamethylhexa-2,4-dien-2-amine
CID 58175095
prop-1-ene-1,1,2-tricarboxamide
CID 155668965
chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide
CID 146307442
1,1,3,3-tetramethylurea;urea
CID 158796669
acetamide
CID 139024037
3,3-dihydrazinyl-2-methylprop-2-enamide
CID 163555683
4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide
CID 22023492
2-(dimethylamino)but-2-enamide;hydrochloride
CID 160636398
(E)-3-methoxy-2-methylbut-2-enamide
CID 55284643
azane;N,N-dimethylacetamide
CID 161145572

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methylbut-2-enamide?
The IUPAC name of 3-(dimethylamino)-2-methylbut-2-enamide (CID 140503837) is 3-(dimethylamino)-2-methylbut-2-enamide.
What is the SMILES notation for 3-(dimethylamino)-2-methylbut-2-enamide?
The canonical SMILES for 3-(dimethylamino)-2-methylbut-2-enamide is CC(C(N)=O)=C(C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-methylbut-2-enamide?
The InChIKey is CEQSXPXVPIAMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(7(8)10)6(2)9(3)4/h1-4H3,(H2,8,10).
What are the key properties of 3-(dimethylamino)-2-methylbut-2-enamide?
3-(dimethylamino)-2-methylbut-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylbut-2-enamide is sourced from PubChem (CID 140503837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).