[(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid

C12H21NO2 — CID 174185869

IUPAC[(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid
SMILESCCCN(C(=O)O)C1CC/C=C\CCC1
InChIInChI=1S/C12H21NO2/c1-2-10-13(12(14)15)11-8-6-4-3-5-7-9-11/h3-4,11H,2,5-10H2,1H3,(H,14,15)/b4-3-
InChIKeyQYRYHMIMANLATQ-ARJAWSKDSA-N
MW211.30 g/mol
LogP3.27
Rot. Bonds3

About [(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid

[(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid (PubChem CID 174185869) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid.

Molecular Properties

Compound Name[(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid
PubChem CID174185869
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid
SMILESCCCN(C(=O)O)C1CC/C=C\CCC1
InChIInChI=1S/C12H21NO2/c1-2-10-13(12(14)15)11-8-6-4-3-5-7-9-11/h3-4,11H,2,5-10H2,1H3,(H,14,15)/b4-3-
InChIKeyQYRYHMIMANLATQ-ARJAWSKDSA-N
XLogP3.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.27
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 [(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid?
The IUPAC name of [(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid (CID 174185869) is [(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid.
What is the SMILES notation for [(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid?
The canonical SMILES for [(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid is CCCN(C(=O)O)C1CC/C=C\CCC1.
What is the InChIKey of [(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid?
The InChIKey is QYRYHMIMANLATQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-10-13(12(14)15)11-8-6-4-3-5-7-9-11/h3-4,11H,2,5-10H2,1H3,(H,14,15)/b4-3-.
What are the key properties of [(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid?
[(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid has a molecular weight of 211.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-cyclooct-4-en-1-yl]-propylcarbamic acid is sourced from PubChem (CID 174185869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).