(3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol

C11H18N2O — CID 130653685

IUPAC(3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1N1C2C=CCC1CC2
InChIInChI=1S/C11H18N2O/c14-11-7-12-6-10(11)13-8-2-1-3-9(13)5-4-8/h1-2,8-12,14H,3-7H2/t8?,9?,10-,11-/m1/s1
InChIKeyFUKCBQPWRJUCIE-JPPWEJMLSA-N
MW194.28 g/mol
LogP0.11
Rot. Bonds1

About (3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol

(3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol (PubChem CID 130653685) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol
PubChem CID130653685
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1N1C2C=CCC1CC2
InChIInChI=1S/C11H18N2O/c14-11-7-12-6-10(11)13-8-2-1-3-9(13)5-4-8/h1-2,8-12,14H,3-7H2/t8?,9?,10-,11-/m1/s1
InChIKeyFUKCBQPWRJUCIE-JPPWEJMLSA-N
XLogP0.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.11
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 (3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol (CID 130653685) is (3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol is O[C@@H]1CNC[C@H]1N1C2C=CCC1CC2.
What is the InChIKey of (3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol?
The InChIKey is FUKCBQPWRJUCIE-JPPWEJMLSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11-7-12-6-10(11)13-8-2-1-3-9(13)5-4-8/h1-2,8-12,14H,3-7H2/t8?,9?,10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol?
(3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol has a molecular weight of 194.28 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130653685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).