cyclooct-2-en-1-yl carbamate

C9H15NO2 — CID 71014651

IUPACcyclooct-2-en-1-yl carbamate
SMILESNC(=O)OC1C=CCCCCC1
InChIInChI=1S/C9H15NO2/c10-9(11)12-8-6-4-2-1-3-5-7-8/h4,6,8H,1-3,5,7H2,(H2,10,11)
InChIKeyMAECTRYTYKYCAL-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.97
Rot. Bonds1

About cyclooct-2-en-1-yl carbamate

cyclooct-2-en-1-yl carbamate (PubChem CID 71014651) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is cyclooct-2-en-1-yl carbamate.

Molecular Properties

Compound Namecyclooct-2-en-1-yl carbamate
PubChem CID71014651
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namecyclooct-2-en-1-yl carbamate
SMILESNC(=O)OC1C=CCCCCC1
InChIInChI=1S/C9H15NO2/c10-9(11)12-8-6-4-2-1-3-5-7-8/h4,6,8H,1-3,5,7H2,(H2,10,11)
InChIKeyMAECTRYTYKYCAL-UHFFFAOYSA-N
XLogP1.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.97
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 cyclooct-2-en-1-yl carbamate?
The IUPAC name of cyclooct-2-en-1-yl carbamate (CID 71014651) is cyclooct-2-en-1-yl carbamate.
What is the SMILES notation for cyclooct-2-en-1-yl carbamate?
The canonical SMILES for cyclooct-2-en-1-yl carbamate is NC(=O)OC1C=CCCCCC1.
What is the InChIKey of cyclooct-2-en-1-yl carbamate?
The InChIKey is MAECTRYTYKYCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c10-9(11)12-8-6-4-2-1-3-5-7-8/h4,6,8H,1-3,5,7H2,(H2,10,11).
What are the key properties of cyclooct-2-en-1-yl carbamate?
cyclooct-2-en-1-yl carbamate has a molecular weight of 169.22 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooct-2-en-1-yl carbamate is sourced from PubChem (CID 71014651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).