(1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol

C12H21NO2 — CID 125453593

IUPAC(1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol
SMILESO[C@@H]1CCC=CCC[C@@H]1N1CCOCC1
InChIInChI=1S/C12H21NO2/c14-12-6-4-2-1-3-5-11(12)13-7-9-15-10-8-13/h1-2,11-12,14H,3-10H2/t11-,12+/m0/s1
InChIKeyMFKWRYOIVPEJQW-NWDGAFQWSA-N
MW211.30 g/mol
LogP1.18
Rot. Bonds1

About (1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol

(1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol (PubChem CID 125453593) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol.

Molecular Properties

Compound Name(1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol
PubChem CID125453593
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol
SMILESO[C@@H]1CCC=CCC[C@@H]1N1CCOCC1
InChIInChI=1S/C12H21NO2/c14-12-6-4-2-1-3-5-11(12)13-7-9-15-10-8-13/h1-2,11-12,14H,3-10H2/t11-,12+/m0/s1
InChIKeyMFKWRYOIVPEJQW-NWDGAFQWSA-N
XLogP1.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
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 (1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol?
The IUPAC name of (1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol (CID 125453593) is (1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol.
What is the SMILES notation for (1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol?
The canonical SMILES for (1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol is O[C@@H]1CCC=CCC[C@@H]1N1CCOCC1.
What is the InChIKey of (1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol?
The InChIKey is MFKWRYOIVPEJQW-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12-6-4-2-1-3-5-11(12)13-7-9-15-10-8-13/h1-2,11-12,14H,3-10H2/t11-,12+/m0/s1.
What are the key properties of (1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol?
(1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol has a molecular weight of 211.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-8-morpholin-4-ylcyclooct-4-en-1-ol is sourced from PubChem (CID 125453593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).