methyl N-(3-phenylprop-2-enyl)carbamate

C11H13NO2 — CID 71446782

IUPACmethyl N-(3-phenylprop-2-enyl)carbamate
SMILESCOC(=O)NCC=Cc1ccccc1
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)
InChIKeyGBZJJYYGSUQNRN-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.06
Rot. Bonds3

About methyl N-(3-phenylprop-2-enyl)carbamate

methyl N-(3-phenylprop-2-enyl)carbamate (PubChem CID 71446782) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl N-(3-phenylprop-2-enyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-phenylprop-2-enyl)carbamate
PubChem CID71446782
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl N-(3-phenylprop-2-enyl)carbamate
SMILESCOC(=O)NCC=Cc1ccccc1
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)
InChIKeyGBZJJYYGSUQNRN-UHFFFAOYSA-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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Related Compounds

Ethyl benzylcarbamate
CID 75801
ethyl N-(2-phenylethyl)carbamate
CID 247630
methyl N-benzylcarbamate
CID 232620
tert-butyl N-(2-phenylethyl)carbamate
CID 3541750
Phenethylcarbamic Acid
CID 448551
Phenylbutyl formamide
CID 20716133
Cambridge id 5525229
CID 5310648
Methyl 4-{[(methoxycarbonyl)amino]methyl}benzylcarbamate
CID 3237350
Tmc-49A
CID 10176847
Carbamic acid, phenethyl-, isopropyl ester
CID 46078
Carbamic acid, isopropyl-, 3-phenylpropyl ester
CID 56352
Carbamic acid, propyl-, 3-phenylpropyl ester
CID 56353

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-phenylprop-2-enyl)carbamate?
The IUPAC name of methyl N-(3-phenylprop-2-enyl)carbamate (CID 71446782) is methyl N-(3-phenylprop-2-enyl)carbamate.
What is the SMILES notation for methyl N-(3-phenylprop-2-enyl)carbamate?
The canonical SMILES for methyl N-(3-phenylprop-2-enyl)carbamate is COC(=O)NCC=Cc1ccccc1.
What is the InChIKey of methyl N-(3-phenylprop-2-enyl)carbamate?
The InChIKey is GBZJJYYGSUQNRN-UHFFFAOYSA-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).
What are the key properties of methyl N-(3-phenylprop-2-enyl)carbamate?
methyl N-(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-(3-phenylprop-2-enyl)carbamate is sourced from PubChem (CID 71446782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).