8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol

C10H17NO — CID 63768538

IUPAC8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCN1C2CCC1CC(O)C2
InChIInChI=1S/C10H17NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h2,8-10,12H,1,3-7H2
InChIKeyLAYSWNJCPFYMQZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.16
Rot. Bonds2

About 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol

8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768538) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768538
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCN1C2CCC1CC(O)C2
InChIInChI=1S/C10H17NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h2,8-10,12H,1,3-7H2
InChIKeyLAYSWNJCPFYMQZ-UHFFFAOYSA-N
XLogP1.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.16
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 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol (CID 63768538) is 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol is C=CCN1C2CCC1CC(O)C2.
What is the InChIKey of 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LAYSWNJCPFYMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h2,8-10,12H,1,3-7H2.
What are the key properties of 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 167.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).