[(E)-but-2-enyl] N-phenylcarbamate

C11H13NO2 — CID 6001964

IUPAC[(E)-but-2-enyl] N-phenylcarbamate
SMILESC/C=C/COC(=O)Nc1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h2-8H,9H2,1H3,(H,12,13)/b3-2+
InChIKeyXSKLUNLMKNMXFF-NSCUHMNNSA-N
MW191.23 g/mol
LogP2.81
Rot. Bonds3

About [(E)-but-2-enyl] N-phenylcarbamate

[(E)-but-2-enyl] N-phenylcarbamate (PubChem CID 6001964) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is [(E)-but-2-enyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(E)-but-2-enyl] N-phenylcarbamate
PubChem CID6001964
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name[(E)-but-2-enyl] N-phenylcarbamate
SMILESC/C=C/COC(=O)Nc1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h2-8H,9H2,1H3,(H,12,13)/b3-2+
InChIKeyXSKLUNLMKNMXFF-NSCUHMNNSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] N-phenylcarbamate?
The IUPAC name of [(E)-but-2-enyl] N-phenylcarbamate (CID 6001964) is [(E)-but-2-enyl] N-phenylcarbamate.
What is the SMILES notation for [(E)-but-2-enyl] N-phenylcarbamate?
The canonical SMILES for [(E)-but-2-enyl] N-phenylcarbamate is C/C=C/COC(=O)Nc1ccccc1.
What is the InChIKey of [(E)-but-2-enyl] N-phenylcarbamate?
The InChIKey is XSKLUNLMKNMXFF-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h2-8H,9H2,1H3,(H,12,13)/b3-2+.
What are the key properties of [(E)-but-2-enyl] N-phenylcarbamate?
[(E)-but-2-enyl] N-phenylcarbamate has a molecular weight of 191.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] N-phenylcarbamate is sourced from PubChem (CID 6001964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).