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

C10H17NO — CID 79734393

IUPAC3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C10H17NO/c1-2-5-10(12)6-8-3-4-9(7-10)11-8/h2,8-9,11-12H,1,3-7H2
InChIKeyURVCILPSUWHONH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.21
Rot. Bonds2

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

3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 79734393) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID79734393
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C10H17NO/c1-2-5-10(12)6-8-3-4-9(7-10)11-8/h2,8-9,11-12H,1,3-7H2
InChIKeyURVCILPSUWHONH-UHFFFAOYSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
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-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol (CID 79734393) is 3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol is C=CCC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is URVCILPSUWHONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-5-10(12)6-8-3-4-9(7-10)11-8/h2,8-9,11-12H,1,3-7H2.
What are the key properties of 3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 167.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 79734393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).