methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate

C11H17NO2 — CID 58895213

IUPACmethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESCOC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C11H17NO2/c1-14-11(13)12-9-5-8-10-6-3-2-4-7-10/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,12,13)/b8-5+
InChIKeyLUSPXKIEBGAOCI-VMPITWQZSA-N
MW195.26 g/mol
LogP2.25
Rot. Bonds3

About methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate

methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (PubChem CID 58895213) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
PubChem CID58895213
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESCOC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C11H17NO2/c1-14-11(13)12-9-5-8-10-6-3-2-4-7-10/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,12,13)/b8-5+
InChIKeyLUSPXKIEBGAOCI-VMPITWQZSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.25
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 methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The IUPAC name of methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (CID 58895213) is methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.
What is the SMILES notation for methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The canonical SMILES for methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is COC(=O)NC/C=C/C1CC=CCC1.
What is the InChIKey of methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The InChIKey is LUSPXKIEBGAOCI-VMPITWQZSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-11(13)12-9-5-8-10-6-3-2-4-7-10/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,12,13)/b8-5+.
What are the key properties of methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate has a molecular weight of 195.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is sourced from PubChem (CID 58895213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).