methyl N-cyclohex-3-en-1-ylcarbamate

C8H13NO2 — CID 11819259

IUPACmethyl N-cyclohex-3-en-1-ylcarbamate
SMILESCOC(=O)NC1CC=CCC1
InChIInChI=1S/C8H13NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,9,10)
InChIKeyHSYLOJCVQMCVHI-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.45
Rot. Bonds1

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

methyl N-cyclohex-3-en-1-ylcarbamate (PubChem CID 11819259) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl N-cyclohex-3-en-1-ylcarbamate.

Molecular Properties

Compound Namemethyl N-cyclohex-3-en-1-ylcarbamate
PubChem CID11819259
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl N-cyclohex-3-en-1-ylcarbamate
SMILESCOC(=O)NC1CC=CCC1
InChIInChI=1S/C8H13NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,9,10)
InChIKeyHSYLOJCVQMCVHI-UHFFFAOYSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.45
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-cyclohex-3-en-1-ylcarbamate?
The IUPAC name of methyl N-cyclohex-3-en-1-ylcarbamate (CID 11819259) is methyl N-cyclohex-3-en-1-ylcarbamate.
What is the SMILES notation for methyl N-cyclohex-3-en-1-ylcarbamate?
The canonical SMILES for methyl N-cyclohex-3-en-1-ylcarbamate is COC(=O)NC1CC=CCC1.
What is the InChIKey of methyl N-cyclohex-3-en-1-ylcarbamate?
The InChIKey is HSYLOJCVQMCVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,9,10).
What are the key properties of methyl N-cyclohex-3-en-1-ylcarbamate?
methyl N-cyclohex-3-en-1-ylcarbamate has a molecular weight of 155.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclohex-3-en-1-ylcarbamate is sourced from PubChem (CID 11819259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).