(3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol

C11H19NO — CID 15749857

IUPAC(3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol
SMILESC=CCC1(CO)CN2CCC1CC2
InChIInChI=1S/C11H19NO/c1-2-5-11(9-13)8-12-6-3-10(11)4-7-12/h2,10,13H,1,3-9H2
InChIKeyDPSJPENHLQTGFK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.27
Rot. Bonds3

About (3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol

(3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol (PubChem CID 15749857) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol.

Molecular Properties

Compound Name(3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol
PubChem CID15749857
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol
SMILESC=CCC1(CO)CN2CCC1CC2
InChIInChI=1S/C11H19NO/c1-2-5-11(9-13)8-12-6-3-10(11)4-7-12/h2,10,13H,1,3-9H2
InChIKeyDPSJPENHLQTGFK-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol?
The IUPAC name of (3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol (CID 15749857) is (3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol.
What is the SMILES notation for (3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol?
The canonical SMILES for (3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol is C=CCC1(CO)CN2CCC1CC2.
What is the InChIKey of (3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol?
The InChIKey is DPSJPENHLQTGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-5-11(9-13)8-12-6-3-10(11)4-7-12/h2,10,13H,1,3-9H2.
What are the key properties of (3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol?
(3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol has a molecular weight of 181.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol is sourced from PubChem (CID 15749857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).