3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol

C12H21NO — CID 171952638

IUPAC3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=CCCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C12H21NO/c1-2-3-7-12(14)8-10-5-4-6-11(9-12)13-10/h2,10-11,13-14H,1,3-9H2
InChIKeyRBVXPBLANAEJDE-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds3

About 3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol

3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952638) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952638
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=CCCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C12H21NO/c1-2-3-7-12(14)8-10-5-4-6-11(9-12)13-10/h2,10-11,13-14H,1,3-9H2
InChIKeyRBVXPBLANAEJDE-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3,3,3-Trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952303
3-(3,4,4-Trifluorobut-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964335
4-Piperidin-2-ylhepta-1,6-dien-4-ol
CID 23007806
3-Methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 45792730
(1R,5S)-3-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 51893327
(1S,5S)-3-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98055791
(1R,5R)-3-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98055792
2-Piperidin-2-ylhex-5-en-2-ol
CID 104656204
2-Methyl-1-piperidin-2-ylbut-3-en-2-ol
CID 116009318
2-Methyl-1-piperidin-2-ylpent-4-en-2-ol
CID 116009513
3-But-3-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 130847455
3-Hex-5-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952097

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952638) is 3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol is C=CCCC1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is RBVXPBLANAEJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-7-12(14)8-10-5-4-6-11(9-12)13-10/h2,10-11,13-14H,1,3-9H2.
What are the key properties of 3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).