3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol

C12H19NO — CID 171952775

IUPAC3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC#CCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C12H19NO/c1-2-3-4-7-12(14)8-10-5-6-11(9-12)13-10/h10-11,13-14H,2,5-9H2,1H3
InChIKeySBBWYOQOMQMVGS-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.44
Rot. Bonds1

About 3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol

3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171952775) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171952775
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC#CCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C12H19NO/c1-2-3-4-7-12(14)8-10-5-6-11(9-12)13-10/h10-11,13-14H,2,5-9H2,1H3
InChIKeySBBWYOQOMQMVGS-UHFFFAOYSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171952775) is 3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol is CCC#CCC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SBBWYOQOMQMVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-7-12(14)8-10-5-6-11(9-12)13-10/h10-11,13-14H,2,5-9H2,1H3.
What are the key properties of 3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol?
3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 193.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).