methyl N-[(E)-3-phenylprop-2-enyl]carbamate

C11H13NO2 — CID 14509943

IUPACmethyl N-[(E)-3-phenylprop-2-enyl]carbamate
SMILESCOC(=O)NC/C=C/c1ccccc1
InChIInChI=1S/C11H13NO2/c1-14-11(13)12-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3,(H,12,13)/b8-5+
InChIKeyGBZJJYYGSUQNRN-VMPITWQZSA-N
MW191.23 g/mol
LogP2.06
Rot. Bonds3

About methyl N-[(E)-3-phenylprop-2-enyl]carbamate

methyl N-[(E)-3-phenylprop-2-enyl]carbamate (PubChem CID 14509943) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl N-[(E)-3-phenylprop-2-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-3-phenylprop-2-enyl]carbamate
PubChem CID14509943
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl N-[(E)-3-phenylprop-2-enyl]carbamate
SMILESCOC(=O)NC/C=C/c1ccccc1
InChIInChI=1S/C11H13NO2/c1-14-11(13)12-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3,(H,12,13)/b8-5+
InChIKeyGBZJJYYGSUQNRN-VMPITWQZSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-3-phenylprop-2-enyl]carbamate?
The IUPAC name of methyl N-[(E)-3-phenylprop-2-enyl]carbamate (CID 14509943) is methyl N-[(E)-3-phenylprop-2-enyl]carbamate.
What is the SMILES notation for methyl N-[(E)-3-phenylprop-2-enyl]carbamate?
The canonical SMILES for methyl N-[(E)-3-phenylprop-2-enyl]carbamate is COC(=O)NC/C=C/c1ccccc1.
What is the InChIKey of methyl N-[(E)-3-phenylprop-2-enyl]carbamate?
The InChIKey is GBZJJYYGSUQNRN-VMPITWQZSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)12-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3,(H,12,13)/b8-5+.
What are the key properties of methyl N-[(E)-3-phenylprop-2-enyl]carbamate?
methyl N-[(E)-3-phenylprop-2-enyl]carbamate has a molecular weight of 191.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-3-phenylprop-2-enyl]carbamate is sourced from PubChem (CID 14509943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).