(1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol

C12H21NO — CID 125452379

IUPAC(1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol
SMILESO[C@@H]1CCC=CCC[C@H]1N1CCCC1
InChIInChI=1S/C12H21NO/c14-12-8-4-2-1-3-7-11(12)13-9-5-6-10-13/h1-2,11-12,14H,3-10H2/t11-,12-/m1/s1
InChIKeyGSFMIBVRJQLIMQ-VXGBXAGGSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds1

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

(1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol (PubChem CID 125452379) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol.

Molecular Properties

Compound Name(1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol
PubChem CID125452379
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol
SMILESO[C@@H]1CCC=CCC[C@H]1N1CCCC1
InChIInChI=1S/C12H21NO/c14-12-8-4-2-1-3-7-11(12)13-9-5-6-10-13/h1-2,11-12,14H,3-10H2/t11-,12-/m1/s1
InChIKeyGSFMIBVRJQLIMQ-VXGBXAGGSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
CID 131701520
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
1-[(1S,4E)-cyclooct-4-en-1-yl]pyrrolidine
CID 144561428
1-[(1R,2R)-2-hydroxycyclopentyl]piperidin-4-ol
CID 102734322
(7S,8S)-7-pyrrolidin-1-yl-1,4-dioxaspiro[4.5]decan-8-ol
CID 15177770
trans-(1R,2R)-2-(1,4-diazepan-1-yl)cyclohexan-1-ol
CID 93346121
trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol
CID 51890003
2-(4-methylazepan-1-yl)cyclopentan-1-ol
CID 63622455

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol?
The IUPAC name of (1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol (CID 125452379) is (1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol.
What is the SMILES notation for (1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol?
The canonical SMILES for (1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol is O[C@@H]1CCC=CCC[C@H]1N1CCCC1.
What is the InChIKey of (1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol?
The InChIKey is GSFMIBVRJQLIMQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H21NO/c14-12-8-4-2-1-3-7-11(12)13-9-5-6-10-13/h1-2,11-12,14H,3-10H2/t11-,12-/m1/s1.
What are the key properties of (1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol?
(1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol is sourced from PubChem (CID 125452379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).