3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol

C12H21NO — CID 171952872

IUPAC3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C12H21NO/c1-2-3-4-7-12(14)8-10-5-6-11(9-12)13-10/h2,10-11,13-14H,1,3-9H2
InChIKeyFLFXUZNGSHTHCP-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds4

About 3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol

3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171952872) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171952872
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C12H21NO/c1-2-3-4-7-12(14)8-10-5-6-11(9-12)13-10/h2,10-11,13-14H,1,3-9H2
InChIKeyFLFXUZNGSHTHCP-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171952872) is 3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol is C=CCCCC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FLFXUZNGSHTHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-7-12(14)8-10-5-6-11(9-12)13-10/h2,10-11,13-14H,1,3-9H2.
What are the key properties of 3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol?
3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).