but-1-ene;N-methylprop-2-enamide

C8H15NO — CID 159446883

IUPACbut-1-ene;N-methylprop-2-enamide
SMILESC=CC(=O)NC.C=CCC
InChIInChI=1S/C4H7NO.C4H8/c1-3-4(6)5-2;1-3-4-2/h3H,1H2,2H3,(H,5,6);3H,1,4H2,2H3
InChIKeyLSWFORULQHVGIA-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.50
Rot. Bonds2

About but-1-ene;N-methylprop-2-enamide

but-1-ene;N-methylprop-2-enamide (PubChem CID 159446883) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is but-1-ene;N-methylprop-2-enamide.

Molecular Properties

Compound Namebut-1-ene;N-methylprop-2-enamide
PubChem CID159446883
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Namebut-1-ene;N-methylprop-2-enamide
SMILESC=CC(=O)NC.C=CCC
InChIInChI=1S/C4H7NO.C4H8/c1-3-4(6)5-2;1-3-4-2/h3H,1H2,2H3,(H,5,6);3H,1,4H2,2H3
InChIKeyLSWFORULQHVGIA-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
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methanol;bis(N-methylprop-2-enamide)
CID 175170531
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diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125
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CID 160712581
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CID 91512805
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CID 173390942
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
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Frequently Asked Questions

What is the IUPAC name of but-1-ene;N-methylprop-2-enamide?
The IUPAC name of but-1-ene;N-methylprop-2-enamide (CID 159446883) is but-1-ene;N-methylprop-2-enamide.
What is the SMILES notation for but-1-ene;N-methylprop-2-enamide?
The canonical SMILES for but-1-ene;N-methylprop-2-enamide is C=CC(=O)NC.C=CCC.
What is the InChIKey of but-1-ene;N-methylprop-2-enamide?
The InChIKey is LSWFORULQHVGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H8/c1-3-4(6)5-2;1-3-4-2/h3H,1H2,2H3,(H,5,6);3H,1,4H2,2H3.
What are the key properties of but-1-ene;N-methylprop-2-enamide?
but-1-ene;N-methylprop-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;N-methylprop-2-enamide is sourced from PubChem (CID 159446883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).