[(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid

C11H19NO2 — CID 166646299

IUPAC[(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid
SMILESCCN(C(=O)O)C1/C=C\CCCCC1
InChIInChI=1S/C11H19NO2/c1-2-12(11(13)14)10-8-6-4-3-5-7-9-10/h6,8,10H,2-5,7,9H2,1H3,(H,13,14)/b8-6-
InChIKeyLCNZPNJUFCSDBB-VURMDHGXSA-N
MW197.28 g/mol
LogP2.88
Rot. Bonds2

About [(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid

[(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid (PubChem CID 166646299) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid.

Molecular Properties

Compound Name[(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid
PubChem CID166646299
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid
SMILESCCN(C(=O)O)C1/C=C\CCCCC1
InChIInChI=1S/C11H19NO2/c1-2-12(11(13)14)10-8-6-4-3-5-7-9-10/h6,8,10H,2-5,7,9H2,1H3,(H,13,14)/b8-6-
InChIKeyLCNZPNJUFCSDBB-VURMDHGXSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid?
The IUPAC name of [(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid (CID 166646299) is [(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid.
What is the SMILES notation for [(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid?
The canonical SMILES for [(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid is CCN(C(=O)O)C1/C=C\CCCCC1.
What is the InChIKey of [(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid?
The InChIKey is LCNZPNJUFCSDBB-VURMDHGXSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-12(11(13)14)10-8-6-4-3-5-7-9-10/h6,8,10H,2-5,7,9H2,1H3,(H,13,14)/b8-6-.
What are the key properties of [(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid?
[(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid has a molecular weight of 197.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-cyclooct-2-en-1-yl]-ethylcarbamic acid is sourced from PubChem (CID 166646299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).