N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide

C8H15NO2 — CID 104553462

IUPACN-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide
SMILESC=CCC(=O)N(C)C(C)CO
InChIInChI=1S/C8H15NO2/c1-4-5-8(11)9(3)7(2)6-10/h4,7,10H,1,5-6H2,2-3H3
InChIKeyHLSTXSDDWHIWDX-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.40
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide

N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide (PubChem CID 104553462) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide
PubChem CID104553462
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide
SMILESC=CCC(=O)N(C)C(C)CO
InChIInChI=1S/C8H15NO2/c1-4-5-8(11)9(3)7(2)6-10/h4,7,10H,1,5-6H2,2-3H3
InChIKeyHLSTXSDDWHIWDX-UHFFFAOYSA-N
XLogP0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.40
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

2-[but-3-enoyl(methyl)amino]propanoic acid
CID 62679875
2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551581
N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
CID 104551888
N-ethyl-N-methylbut-3-enamide
CID 23466641
ethane;N-ethyl-N-methylbut-3-enamide
CID 142224309
4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
CID 104556903
N,N-diethylbut-3-enamide
CID 12545744
N-(1-hydroxypropan-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968619
2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid
CID 104551501
N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 115765010
2,2-diethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
CID 104551496
2-(cyclopropylamino)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551708

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide (CID 104553462) is N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide is C=CCC(=O)N(C)C(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide?
The InChIKey is HLSTXSDDWHIWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-8(11)9(3)7(2)6-10/h4,7,10H,1,5-6H2,2-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide?
N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide is sourced from PubChem (CID 104553462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).