2-methyl-N-(4-oxobutyl)prop-2-enamide

C8H13NO2 — CID 87580845

IUPAC2-methyl-N-(4-oxobutyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCC=O
InChIInChI=1S/C8H13NO2/c1-7(2)8(11)9-5-3-4-6-10/h6H,1,3-5H2,2H3,(H,9,11)
InChIKeyVVRSHSLICDDTJA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.66
Rot. Bonds5

About 2-methyl-N-(4-oxobutyl)prop-2-enamide

2-methyl-N-(4-oxobutyl)prop-2-enamide (PubChem CID 87580845) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methyl-N-(4-oxobutyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxobutyl)prop-2-enamide
PubChem CID87580845
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-methyl-N-(4-oxobutyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCC=O
InChIInChI=1S/C8H13NO2/c1-7(2)8(11)9-5-3-4-6-10/h6H,1,3-5H2,2H3,(H,9,11)
InChIKeyVVRSHSLICDDTJA-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Butylmethacrylamide
CID 9855497
Methacrylamidoacetaldehyde
CID 22616736
N-(3-methoxypropyl)-2-methylprop-2-enamide
CID 9989479
N-(4-methoxybutyl)-2-methylprop-2-enamide
CID 18769634
2-methyl-N-(1-oxobutan-2-yl)prop-2-enamide
CID 22719332
N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide
CID 22723738
2-methyl-N-(6-oxohexyl)prop-2-enamide
CID 54218412
N'-ethyl-N-methyl-2-methylidenebutanediamide
CID 54547496
2-Methylprop-2-enamide;pyrrolidin-2-one
CID 67042013
N-(4-Oxobutyl)prop-2-enamide
CID 71338955
2-Methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 87769808
2-methylidene-N-propylbutanediamide
CID 87805288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-oxobutyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(4-oxobutyl)prop-2-enamide (CID 87580845) is 2-methyl-N-(4-oxobutyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(4-oxobutyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(4-oxobutyl)prop-2-enamide is C=C(C)C(=O)NCCCC=O.
What is the InChIKey of 2-methyl-N-(4-oxobutyl)prop-2-enamide?
The InChIKey is VVRSHSLICDDTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(2)8(11)9-5-3-4-6-10/h6H,1,3-5H2,2H3,(H,9,11).
What are the key properties of 2-methyl-N-(4-oxobutyl)prop-2-enamide?
2-methyl-N-(4-oxobutyl)prop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-oxobutyl)prop-2-enamide is sourced from PubChem (CID 87580845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).