N-[2-(dimethylamino)ethyl]but-3-enamide

C8H16N2O — CID 89108263

IUPACN-[2-(dimethylamino)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCN(C)C
InChIInChI=1S/C8H16N2O/c1-4-5-8(11)9-6-7-10(2)3/h4H,1,5-7H2,2-3H3,(H,9,11)
InChIKeyYYRTVQQGKMRLKJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.24
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]but-3-enamide

N-[2-(dimethylamino)ethyl]but-3-enamide (PubChem CID 89108263) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]but-3-enamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]but-3-enamide
PubChem CID89108263
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[2-(dimethylamino)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCN(C)C
InChIInChI=1S/C8H16N2O/c1-4-5-8(11)9-6-7-10(2)3/h4H,1,5-7H2,2-3H3,(H,9,11)
InChIKeyYYRTVQQGKMRLKJ-UHFFFAOYSA-N
XLogP0.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]pent-4-enamide
CID 158602518
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
2-amino-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
CID 56832115
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide
CID 121015201
10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
CID 51038800
N-(9-hydroxynonyl)but-3-enamide
CID 171841682
N-(5-hydroxypentyl)but-3-enamide
CID 107318491
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045
2-(dimethylamino)ethylurea
CID 16785331

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]but-3-enamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]but-3-enamide (CID 89108263) is N-[2-(dimethylamino)ethyl]but-3-enamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]but-3-enamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]but-3-enamide is C=CCC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]but-3-enamide?
The InChIKey is YYRTVQQGKMRLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-5-8(11)9-6-7-10(2)3/h4H,1,5-7H2,2-3H3,(H,9,11).
What are the key properties of N-[2-(dimethylamino)ethyl]but-3-enamide?
N-[2-(dimethylamino)ethyl]but-3-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]but-3-enamide is sourced from PubChem (CID 89108263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).