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

C14H23NO2 — CID 58895192

IUPACbutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESCCCCOC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C14H23NO2/c1-2-3-12-17-14(16)15-11-7-10-13-8-5-4-6-9-13/h4-5,7,10,13H,2-3,6,8-9,11-12H2,1H3,(H,15,16)/b10-7+
InChIKeyJZZMZQRSLYPNGJ-JXMROGBWSA-N
MW237.34 g/mol
LogP3.43
Rot. Bonds6

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

butyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (PubChem CID 58895192) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is butyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.

Molecular Properties

Compound Namebutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
PubChem CID58895192
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namebutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESCCCCOC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C14H23NO2/c1-2-3-12-17-14(16)15-11-7-10-13-8-5-4-6-9-13/h4-5,7,10,13H,2-3,6,8-9,11-12H2,1H3,(H,15,16)/b10-7+
InChIKeyJZZMZQRSLYPNGJ-JXMROGBWSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The IUPAC name of butyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (CID 58895192) is butyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.
What is the SMILES notation for butyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The canonical SMILES for butyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is CCCCOC(=O)NC/C=C/C1CC=CCC1.
What is the InChIKey of butyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The InChIKey is JZZMZQRSLYPNGJ-JXMROGBWSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-12-17-14(16)15-11-7-10-13-8-5-4-6-9-13/h4-5,7,10,13H,2-3,6,8-9,11-12H2,1H3,(H,15,16)/b10-7+.
What are the key properties of butyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
butyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate has a molecular weight of 237.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is sourced from PubChem (CID 58895192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).