ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate

C10H17NO2 — CID 67271194

IUPACethyl N-cyclohex-3-en-1-yl-N-methylcarbamate
SMILESCCOC(=O)N(C)C1CC=CCC1
InChIInChI=1S/C10H17NO2/c1-3-13-10(12)11(2)9-7-5-4-6-8-9/h4-5,9H,3,6-8H2,1-2H3
InChIKeyKJAAIJGQUAFXLW-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.18
Rot. Bonds2

About ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate

ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate (PubChem CID 67271194) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-cyclohex-3-en-1-yl-N-methylcarbamate
PubChem CID67271194
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl N-cyclohex-3-en-1-yl-N-methylcarbamate
SMILESCCOC(=O)N(C)C1CC=CCC1
InChIInChI=1S/C10H17NO2/c1-3-13-10(12)11(2)9-7-5-4-6-8-9/h4-5,9H,3,6-8H2,1-2H3
InChIKeyKJAAIJGQUAFXLW-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
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 ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate?
The IUPAC name of ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate (CID 67271194) is ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate.
What is the SMILES notation for ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate?
The canonical SMILES for ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate is CCOC(=O)N(C)C1CC=CCC1.
What is the InChIKey of ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate?
The InChIKey is KJAAIJGQUAFXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-13-10(12)11(2)9-7-5-4-6-8-9/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate?
ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate has a molecular weight of 183.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate is sourced from PubChem (CID 67271194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).