benzyl N-prop-2-enylcarbamate

C11H13NO2 — CID 562279

IUPACbenzyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,12,13)
InChIKeyOSLGKRDOEMLAJV-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.10
Rot. Bonds4

About benzyl N-prop-2-enylcarbamate

benzyl N-prop-2-enylcarbamate (PubChem CID 562279) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is benzyl N-prop-2-enylcarbamate.

Molecular Properties

Compound Namebenzyl N-prop-2-enylcarbamate
PubChem CID562279
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namebenzyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,12,13)
InChIKeyOSLGKRDOEMLAJV-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.10
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 benzyl N-prop-2-enylcarbamate?
The IUPAC name of benzyl N-prop-2-enylcarbamate (CID 562279) is benzyl N-prop-2-enylcarbamate.
What is the SMILES notation for benzyl N-prop-2-enylcarbamate?
The canonical SMILES for benzyl N-prop-2-enylcarbamate is C=CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-prop-2-enylcarbamate?
The InChIKey is OSLGKRDOEMLAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,12,13).
What are the key properties of benzyl N-prop-2-enylcarbamate?
benzyl N-prop-2-enylcarbamate has a molecular weight of 191.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-prop-2-enylcarbamate is sourced from PubChem (CID 562279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).