butyl N-cyclohex-2-en-1-ylcarbamate

C11H19NO2 — CID 71405455

IUPACbutyl N-cyclohex-2-en-1-ylcarbamate
SMILESCCCCOC(=O)NC1C=CCCC1
InChIInChI=1S/C11H19NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,12,13)
InChIKeyDUDRXDZKTFGFSH-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.62
Rot. Bonds4

About butyl N-cyclohex-2-en-1-ylcarbamate

butyl N-cyclohex-2-en-1-ylcarbamate (PubChem CID 71405455) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is butyl N-cyclohex-2-en-1-ylcarbamate.

Molecular Properties

Compound Namebutyl N-cyclohex-2-en-1-ylcarbamate
PubChem CID71405455
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namebutyl N-cyclohex-2-en-1-ylcarbamate
SMILESCCCCOC(=O)NC1C=CCCC1
InChIInChI=1S/C11H19NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,12,13)
InChIKeyDUDRXDZKTFGFSH-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.62
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-cyclohex-2-en-1-ylcarbamate?
The IUPAC name of butyl N-cyclohex-2-en-1-ylcarbamate (CID 71405455) is butyl N-cyclohex-2-en-1-ylcarbamate.
What is the SMILES notation for butyl N-cyclohex-2-en-1-ylcarbamate?
The canonical SMILES for butyl N-cyclohex-2-en-1-ylcarbamate is CCCCOC(=O)NC1C=CCCC1.
What is the InChIKey of butyl N-cyclohex-2-en-1-ylcarbamate?
The InChIKey is DUDRXDZKTFGFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,12,13).
What are the key properties of butyl N-cyclohex-2-en-1-ylcarbamate?
butyl N-cyclohex-2-en-1-ylcarbamate has a molecular weight of 197.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-cyclohex-2-en-1-ylcarbamate is sourced from PubChem (CID 71405455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).