8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C11H19NO — CID 63768734

IUPAC8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CC(C)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H19NO/c1-3-8(2)12-9-4-5-10(12)7-11(13)6-9/h3,8-11,13H,1,4-7H2,2H3
InChIKeyZYUDADQELZMMNC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds2

About 8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol

8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768734) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768734
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CC(C)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H19NO/c1-3-8(2)12-9-4-5-10(12)7-11(13)6-9/h3,8-11,13H,1,4-7H2,2H3
InChIKeyZYUDADQELZMMNC-UHFFFAOYSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
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-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 63768734) is 8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol is C=CC(C)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZYUDADQELZMMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-8(2)12-9-4-5-10(12)7-11(13)6-9/h3,8-11,13H,1,4-7H2,2H3.
What are the key properties of 8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).