but-3-en-2-yl(2-oxoethyl)carbamic acid

C7H11NO3 — CID 54300090

IUPACbut-3-en-2-yl(2-oxoethyl)carbamic acid
SMILESC=CC(C)N(CC=O)C(=O)O
InChIInChI=1S/C7H11NO3/c1-3-6(2)8(4-5-9)7(10)11/h3,5-6H,1,4H2,2H3,(H,10,11)
InChIKeySDORYAWUDLLWGZ-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.74
Rot. Bonds4

About but-3-en-2-yl(2-oxoethyl)carbamic acid

but-3-en-2-yl(2-oxoethyl)carbamic acid (PubChem CID 54300090) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is but-3-en-2-yl(2-oxoethyl)carbamic acid.

Molecular Properties

Compound Namebut-3-en-2-yl(2-oxoethyl)carbamic acid
PubChem CID54300090
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namebut-3-en-2-yl(2-oxoethyl)carbamic acid
SMILESC=CC(C)N(CC=O)C(=O)O
InChIInChI=1S/C7H11NO3/c1-3-6(2)8(4-5-9)7(10)11/h3,5-6H,1,4H2,2H3,(H,10,11)
InChIKeySDORYAWUDLLWGZ-UHFFFAOYSA-N
XLogP0.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze but-3-en-2-yl(2-oxoethyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl(2-oxoethyl)carbamic acid?
The IUPAC name of but-3-en-2-yl(2-oxoethyl)carbamic acid (CID 54300090) is but-3-en-2-yl(2-oxoethyl)carbamic acid.
What is the SMILES notation for but-3-en-2-yl(2-oxoethyl)carbamic acid?
The canonical SMILES for but-3-en-2-yl(2-oxoethyl)carbamic acid is C=CC(C)N(CC=O)C(=O)O.
What is the InChIKey of but-3-en-2-yl(2-oxoethyl)carbamic acid?
The InChIKey is SDORYAWUDLLWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-6(2)8(4-5-9)7(10)11/h3,5-6H,1,4H2,2H3,(H,10,11).
What are the key properties of but-3-en-2-yl(2-oxoethyl)carbamic acid?
but-3-en-2-yl(2-oxoethyl)carbamic acid has a molecular weight of 157.17 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl(2-oxoethyl)carbamic acid is sourced from PubChem (CID 54300090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).