cyclohex-2-en-1-yl carbamate

C7H11NO2 — CID 14168851

IUPACcyclohex-2-en-1-yl carbamate
SMILESNC(=O)OC1C=CCCC1
InChIInChI=1S/C7H11NO2/c8-7(9)10-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H2,8,9)
InChIKeyKXMMCHQJFQHIPW-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.19
Rot. Bonds1

About cyclohex-2-en-1-yl carbamate

cyclohex-2-en-1-yl carbamate (PubChem CID 14168851) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is cyclohex-2-en-1-yl carbamate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl carbamate
PubChem CID14168851
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namecyclohex-2-en-1-yl carbamate
SMILESNC(=O)OC1C=CCCC1
InChIInChI=1S/C7H11NO2/c8-7(9)10-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H2,8,9)
InChIKeyKXMMCHQJFQHIPW-UHFFFAOYSA-N
XLogP1.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.19
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 cyclohex-2-en-1-yl carbamate?
The IUPAC name of cyclohex-2-en-1-yl carbamate (CID 14168851) is cyclohex-2-en-1-yl carbamate.
What is the SMILES notation for cyclohex-2-en-1-yl carbamate?
The canonical SMILES for cyclohex-2-en-1-yl carbamate is NC(=O)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl carbamate?
The InChIKey is KXMMCHQJFQHIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-7(9)10-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H2,8,9).
What are the key properties of cyclohex-2-en-1-yl carbamate?
cyclohex-2-en-1-yl carbamate has a molecular weight of 141.17 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl carbamate is sourced from PubChem (CID 14168851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).