cyclohept-2-en-1-yl carbamate

C8H13NO2 — CID 11147841

IUPACcyclohept-2-en-1-yl carbamate
SMILESNC(=O)OC1C=CCCCC1
InChIInChI=1S/C8H13NO2/c9-8(10)11-7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2,(H2,9,10)
InChIKeySTOJPUQRBKUWIQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.58
Rot. Bonds1

About cyclohept-2-en-1-yl carbamate

cyclohept-2-en-1-yl carbamate (PubChem CID 11147841) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is cyclohept-2-en-1-yl carbamate.

Molecular Properties

Compound Namecyclohept-2-en-1-yl carbamate
PubChem CID11147841
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namecyclohept-2-en-1-yl carbamate
SMILESNC(=O)OC1C=CCCCC1
InChIInChI=1S/C8H13NO2/c9-8(10)11-7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2,(H2,9,10)
InChIKeySTOJPUQRBKUWIQ-UHFFFAOYSA-N
XLogP1.58
TPSA52.32 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 ≤ 51.58
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 cyclohept-2-en-1-yl carbamate?
The IUPAC name of cyclohept-2-en-1-yl carbamate (CID 11147841) is cyclohept-2-en-1-yl carbamate.
What is the SMILES notation for cyclohept-2-en-1-yl carbamate?
The canonical SMILES for cyclohept-2-en-1-yl carbamate is NC(=O)OC1C=CCCCC1.
What is the InChIKey of cyclohept-2-en-1-yl carbamate?
The InChIKey is STOJPUQRBKUWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-8(10)11-7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2,(H2,9,10).
What are the key properties of cyclohept-2-en-1-yl carbamate?
cyclohept-2-en-1-yl carbamate has a molecular weight of 155.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-2-en-1-yl carbamate is sourced from PubChem (CID 11147841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).