benzyl N-cyclohex-3-en-1-ylcarbamate

C14H17NO2 — CID 15405972

IUPACbenzyl N-cyclohex-3-en-1-ylcarbamate
SMILESO=C(NC1CC=CCC1)OCc1ccccc1
InChIInChI=1S/C14H17NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-5,7-8,13H,6,9-11H2,(H,15,16)
InChIKeyQOFVAYXLSOJRGQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.02
Rot. Bonds3

About benzyl N-cyclohex-3-en-1-ylcarbamate

benzyl N-cyclohex-3-en-1-ylcarbamate (PubChem CID 15405972) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is benzyl N-cyclohex-3-en-1-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-cyclohex-3-en-1-ylcarbamate
PubChem CID15405972
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Namebenzyl N-cyclohex-3-en-1-ylcarbamate
SMILESO=C(NC1CC=CCC1)OCc1ccccc1
InChIInChI=1S/C14H17NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-5,7-8,13H,6,9-11H2,(H,15,16)
InChIKeyQOFVAYXLSOJRGQ-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.02
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-cyclohex-3-en-1-ylcarbamate?
The IUPAC name of benzyl N-cyclohex-3-en-1-ylcarbamate (CID 15405972) is benzyl N-cyclohex-3-en-1-ylcarbamate.
What is the SMILES notation for benzyl N-cyclohex-3-en-1-ylcarbamate?
The canonical SMILES for benzyl N-cyclohex-3-en-1-ylcarbamate is O=C(NC1CC=CCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-cyclohex-3-en-1-ylcarbamate?
The InChIKey is QOFVAYXLSOJRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-5,7-8,13H,6,9-11H2,(H,15,16).
What are the key properties of benzyl N-cyclohex-3-en-1-ylcarbamate?
benzyl N-cyclohex-3-en-1-ylcarbamate has a molecular weight of 231.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclohex-3-en-1-ylcarbamate is sourced from PubChem (CID 15405972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).