[(1R)-1-phenylprop-2-enyl] N-propylcarbamate

C13H17NO2 — CID 138974936

IUPAC[(1R)-1-phenylprop-2-enyl] N-propylcarbamate
SMILESC=C[C@@H](OC(=O)NCCC)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-10-14-13(15)16-12(4-2)11-8-6-5-7-9-11/h4-9,12H,2-3,10H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyTYUOHJHNJJZJJL-GFCCVEGCSA-N
MW219.28 g/mol
LogP3.05
Rot. Bonds5

About [(1R)-1-phenylprop-2-enyl] N-propylcarbamate

[(1R)-1-phenylprop-2-enyl] N-propylcarbamate (PubChem CID 138974936) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [(1R)-1-phenylprop-2-enyl] N-propylcarbamate.

Molecular Properties

Compound Name[(1R)-1-phenylprop-2-enyl] N-propylcarbamate
PubChem CID138974936
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[(1R)-1-phenylprop-2-enyl] N-propylcarbamate
SMILESC=C[C@@H](OC(=O)NCCC)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-10-14-13(15)16-12(4-2)11-8-6-5-7-9-11/h4-9,12H,2-3,10H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyTYUOHJHNJJZJJL-GFCCVEGCSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyloxycarbonylglycine
CID 14349
4-(((Benzyloxy)carbonyl)amino)butanoic acid
CID 21184
Benzyl piperazine-1-carboxylate
CID 643495
6-(((Phenylmethoxy)carbonyl)amino)hexanoic acid
CID 74758
Benzyl (2-oxopropyl)carbamate
CID 22747857
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
Benzyl Cyanomethylcarbamate
CID 244143
N-Benzyloxycarbonyl-beta-alanine
CID 75313
Benzyl 1-phenylethylcarbamate
CID 9837961
5-[(Benzyloxy)methyl]-1,3-oxazolidin-2-one
CID 2771944
Glycine, N-((phenylmethoxy)carbonyl)-, ethenyl ester
CID 47309
benzyl N-(2-hydroxyethyl)carbamate
CID 280458

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylprop-2-enyl] N-propylcarbamate?
The IUPAC name of [(1R)-1-phenylprop-2-enyl] N-propylcarbamate (CID 138974936) is [(1R)-1-phenylprop-2-enyl] N-propylcarbamate.
What is the SMILES notation for [(1R)-1-phenylprop-2-enyl] N-propylcarbamate?
The canonical SMILES for [(1R)-1-phenylprop-2-enyl] N-propylcarbamate is C=C[C@@H](OC(=O)NCCC)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylprop-2-enyl] N-propylcarbamate?
The InChIKey is TYUOHJHNJJZJJL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-10-14-13(15)16-12(4-2)11-8-6-5-7-9-11/h4-9,12H,2-3,10H2,1H3,(H,14,15)/t12-/m1/s1.
What are the key properties of [(1R)-1-phenylprop-2-enyl] N-propylcarbamate?
[(1R)-1-phenylprop-2-enyl] N-propylcarbamate has a molecular weight of 219.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylprop-2-enyl] N-propylcarbamate is sourced from PubChem (CID 138974936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).