[(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate

C9H15NO3 — CID 90182560

IUPAC[(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate
SMILESNC(=O)OC1/C=C\CC(O)CCC1
InChIInChI=1S/C9H15NO3/c10-9(12)13-8-5-1-3-7(11)4-2-6-8/h1,5,7-8,11H,2-4,6H2,(H2,10,12)/b5-1-
InChIKeyXDPYRFWZXXHIBC-KTAJNNJTSA-N
MW185.22 g/mol
LogP0.94
Rot. Bonds1

About [(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate

[(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate (PubChem CID 90182560) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is [(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate.

Molecular Properties

Compound Name[(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate
PubChem CID90182560
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name[(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate
SMILESNC(=O)OC1/C=C\CC(O)CCC1
InChIInChI=1S/C9H15NO3/c10-9(12)13-8-5-1-3-7(11)4-2-6-8/h1,5,7-8,11H,2-4,6H2,(H2,10,12)/b5-1-
InChIKeyXDPYRFWZXXHIBC-KTAJNNJTSA-N
XLogP0.94
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-5-hydroxycyclooct-2-en-1-yl] carbamate?
The IUPAC name of [(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate (CID 90182560) is [(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate.
What is the SMILES notation for [(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate?
The canonical SMILES for [(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate is NC(=O)OC1/C=C\CC(O)CCC1.
What is the InChIKey of [(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate?
The InChIKey is XDPYRFWZXXHIBC-KTAJNNJTSA-N. The full InChI is InChI=1S/C9H15NO3/c10-9(12)13-8-5-1-3-7(11)4-2-6-8/h1,5,7-8,11H,2-4,6H2,(H2,10,12)/b5-1-.
What are the key properties of [(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate?
[(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate has a molecular weight of 185.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate is sourced from PubChem (CID 90182560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).