prop-2-enyl N-(1-phenylethyl)carbamate

C12H15NO2 — CID 11830564

IUPACprop-2-enyl N-(1-phenylethyl)carbamate
SMILESC=CCOC(=O)NC(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-9-15-12(14)13-10(2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,13,14)
InChIKeyQXZFRQVWPVYTGQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.66
Rot. Bonds4

About prop-2-enyl N-(1-phenylethyl)carbamate

prop-2-enyl N-(1-phenylethyl)carbamate (PubChem CID 11830564) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is prop-2-enyl N-(1-phenylethyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(1-phenylethyl)carbamate
PubChem CID11830564
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameprop-2-enyl N-(1-phenylethyl)carbamate
SMILESC=CCOC(=O)NC(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-9-15-12(14)13-10(2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,13,14)
InChIKeyQXZFRQVWPVYTGQ-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.66
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 prop-2-enyl N-(1-phenylethyl)carbamate?
The IUPAC name of prop-2-enyl N-(1-phenylethyl)carbamate (CID 11830564) is prop-2-enyl N-(1-phenylethyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(1-phenylethyl)carbamate?
The canonical SMILES for prop-2-enyl N-(1-phenylethyl)carbamate is C=CCOC(=O)NC(C)c1ccccc1.
What is the InChIKey of prop-2-enyl N-(1-phenylethyl)carbamate?
The InChIKey is QXZFRQVWPVYTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-9-15-12(14)13-10(2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,13,14).
What are the key properties of prop-2-enyl N-(1-phenylethyl)carbamate?
prop-2-enyl N-(1-phenylethyl)carbamate has a molecular weight of 205.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(1-phenylethyl)carbamate is sourced from PubChem (CID 11830564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).