but-3-en-2-ylcarbamoyl acetate

C7H11NO3 — CID 167041603

IUPACbut-3-en-2-ylcarbamoyl acetate
SMILESC=CC(C)NC(=O)OC(C)=O
InChIInChI=1S/C7H11NO3/c1-4-5(2)8-7(10)11-6(3)9/h4-5H,1H2,2-3H3,(H,8,10)
InChIKeyFGWNZNATUQYAIY-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.83
Rot. Bonds2

About but-3-en-2-ylcarbamoyl acetate

but-3-en-2-ylcarbamoyl acetate (PubChem CID 167041603) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is but-3-en-2-ylcarbamoyl acetate.

Molecular Properties

Compound Namebut-3-en-2-ylcarbamoyl acetate
PubChem CID167041603
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namebut-3-en-2-ylcarbamoyl acetate
SMILESC=CC(C)NC(=O)OC(C)=O
InChIInChI=1S/C7H11NO3/c1-4-5(2)8-7(10)11-6(3)9/h4-5H,1H2,2-3H3,(H,8,10)
InChIKeyFGWNZNATUQYAIY-UHFFFAOYSA-N
XLogP0.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl N-but-3-en-2-ylcarbamate
CID 55287045
(2S)-N-but-3-en-2-yl-2-hydroxypropanamide
CID 131182785
N-but-3-en-2-yl-2,2-dimethylpropanamide
CID 112698624
N-but-3-en-2-ylhydroxylamine
CID 18467379
buta-1,3-dien-2-yl acetate
CID 13155985
methoxycarbamoyl acetate
CID 162136084
9H-fluoren-9-yl N-but-3-en-2-ylcarbamate
CID 175278848
hydroxycarbamoyl acetate
CID 15549261
[(2R)-but-3-en-2-yl] acetate
CID 11378468
N-but-3-en-2-yl-2-cyano-2-methylpropanamide
CID 115692171
(2S)-2-(but-3-en-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 104864756
hydrazinecarbonyl acetate
CID 129117292

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-ylcarbamoyl acetate?
The IUPAC name of but-3-en-2-ylcarbamoyl acetate (CID 167041603) is but-3-en-2-ylcarbamoyl acetate.
What is the SMILES notation for but-3-en-2-ylcarbamoyl acetate?
The canonical SMILES for but-3-en-2-ylcarbamoyl acetate is C=CC(C)NC(=O)OC(C)=O.
What is the InChIKey of but-3-en-2-ylcarbamoyl acetate?
The InChIKey is FGWNZNATUQYAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-5(2)8-7(10)11-6(3)9/h4-5H,1H2,2-3H3,(H,8,10).
What are the key properties of but-3-en-2-ylcarbamoyl acetate?
but-3-en-2-ylcarbamoyl acetate has a molecular weight of 157.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-ylcarbamoyl acetate is sourced from PubChem (CID 167041603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).