ethane;N-ethyl-N-methylbut-3-enamide

C9H19NO — CID 142224309

IUPACethane;N-ethyl-N-methylbut-3-enamide
SMILESC=CCC(=O)N(C)CC.CC
InChIInChI=1S/C7H13NO.C2H6/c1-4-6-7(9)8(3)5-2;1-2/h4H,1,5-6H2,2-3H3;1-2H3
InChIKeyRHDKGAYUUUVKMU-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.07
Rot. Bonds3

About ethane;N-ethyl-N-methylbut-3-enamide

ethane;N-ethyl-N-methylbut-3-enamide (PubChem CID 142224309) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;N-ethyl-N-methylbut-3-enamide.

Molecular Properties

Compound Nameethane;N-ethyl-N-methylbut-3-enamide
PubChem CID142224309
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;N-ethyl-N-methylbut-3-enamide
SMILESC=CCC(=O)N(C)CC.CC
InChIInChI=1S/C7H13NO.C2H6/c1-4-6-7(9)8(3)5-2;1-2/h4H,1,5-6H2,2-3H3;1-2H3
InChIKeyRHDKGAYUUUVKMU-UHFFFAOYSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methylbut-3-enamide
CID 23466641
N,N-diethylbut-3-enamide
CID 12545744
ethane;prop-2-enyl N-ethyl-N-methylcarbamate
CID 142891984
N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide
CID 79653171
N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide
CID 104553462
1-ethyl-1,3-dimethyl-3-prop-2-enylurea
CID 116657053
N,N-bis(ethylsulfanyl)but-3-enamide
CID 45118434
1-ethyl-1-methyl-3-prop-2-enylurea
CID 115603850
ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide
CID 142224349
N-methyl-N-pent-4-enylpropanamide
CID 115640317
2-[but-3-enoyl(methyl)amino]propanoic acid
CID 62679875
bis(N-ethyl-N-methylpropanamide);pentan-3-one
CID 158092722

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methylbut-3-enamide?
The IUPAC name of ethane;N-ethyl-N-methylbut-3-enamide (CID 142224309) is ethane;N-ethyl-N-methylbut-3-enamide.
What is the SMILES notation for ethane;N-ethyl-N-methylbut-3-enamide?
The canonical SMILES for ethane;N-ethyl-N-methylbut-3-enamide is C=CCC(=O)N(C)CC.CC.
What is the InChIKey of ethane;N-ethyl-N-methylbut-3-enamide?
The InChIKey is RHDKGAYUUUVKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-4-6-7(9)8(3)5-2;1-2/h4H,1,5-6H2,2-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-methylbut-3-enamide?
ethane;N-ethyl-N-methylbut-3-enamide has a molecular weight of 157.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methylbut-3-enamide is sourced from PubChem (CID 142224309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).