cyclohexen-1-yl N-benzylcarbamate

C14H17NO2 — CID 175063229

IUPACcyclohexen-1-yl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1=CCCCC1
InChIInChI=1S/C14H17NO2/c16-14(17-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-9H,2,5-6,10-11H2,(H,15,16)
InChIKeyAGBHOWSEWGPJPL-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.37
Rot. Bonds3

About cyclohexen-1-yl N-benzylcarbamate

cyclohexen-1-yl N-benzylcarbamate (PubChem CID 175063229) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is cyclohexen-1-yl N-benzylcarbamate.

Molecular Properties

Compound Namecyclohexen-1-yl N-benzylcarbamate
PubChem CID175063229
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Namecyclohexen-1-yl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1=CCCCC1
InChIInChI=1S/C14H17NO2/c16-14(17-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-9H,2,5-6,10-11H2,(H,15,16)
InChIKeyAGBHOWSEWGPJPL-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
benzene;ethyl N-benzylcarbamate
CID 67715166
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
(4-methylphenyl) N-benzylcarbamate
CID 14292552
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814
2-(benzylcarbamoyl)cyclohexene-1-carboxylic acid
CID 4990695
4-[(cyclohexen-1-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122015864
(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
CID 19873104
(2-hydroxycyclohexyl) N-benzylcarbamate
CID 174552580
(1-aminocyclopentyl)methyl N-benzylcarbamate
CID 107654689
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl N-benzylcarbamate?
The IUPAC name of cyclohexen-1-yl N-benzylcarbamate (CID 175063229) is cyclohexen-1-yl N-benzylcarbamate.
What is the SMILES notation for cyclohexen-1-yl N-benzylcarbamate?
The canonical SMILES for cyclohexen-1-yl N-benzylcarbamate is O=C(NCc1ccccc1)OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl N-benzylcarbamate?
The InChIKey is AGBHOWSEWGPJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-9H,2,5-6,10-11H2,(H,15,16).
What are the key properties of cyclohexen-1-yl N-benzylcarbamate?
cyclohexen-1-yl N-benzylcarbamate has a molecular weight of 231.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl N-benzylcarbamate is sourced from PubChem (CID 175063229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).