[(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate

C7H11NO3 — CID 89382947

IUPAC[(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate
SMILESC=C(/C=C/O)COC(=O)NC
InChIInChI=1S/C7H11NO3/c1-6(3-4-9)5-11-7(10)8-2/h3-4,9H,1,5H2,2H3,(H,8,10)/b4-3+
InChIKeyZXTXURITUWMPOE-ONEGZZNKSA-N
MW157.17 g/mol
LogP0.97
Rot. Bonds3

About [(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate

[(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate (PubChem CID 89382947) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate.

Molecular Properties

Compound Name[(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate
PubChem CID89382947
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name[(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate
SMILESC=C(/C=C/O)COC(=O)NC
InChIInChI=1S/C7H11NO3/c1-6(3-4-9)5-11-7(10)8-2/h3-4,9H,1,5H2,2H3,(H,8,10)/b4-3+
InChIKeyZXTXURITUWMPOE-ONEGZZNKSA-N
XLogP0.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate?
The IUPAC name of [(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate (CID 89382947) is [(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate.
What is the SMILES notation for [(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate?
The canonical SMILES for [(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate is C=C(/C=C/O)COC(=O)NC.
What is the InChIKey of [(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate?
The InChIKey is ZXTXURITUWMPOE-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H11NO3/c1-6(3-4-9)5-11-7(10)8-2/h3-4,9H,1,5H2,2H3,(H,8,10)/b4-3+.
What are the key properties of [(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate?
[(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate has a molecular weight of 157.17 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-hydroxy-2-methylidenebut-3-enyl] N-methylcarbamate is sourced from PubChem (CID 89382947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).