3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol

C11H19NO — CID 130847455

IUPAC3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C11H19NO/c1-2-3-6-11(13)7-9-4-5-10(8-11)12-9/h2,9-10,12-13H,1,3-8H2
InChIKeyBQIXSDKYZJWBEN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.60
Rot. Bonds3

About 3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol

3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 130847455) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID130847455
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C11H19NO/c1-2-3-6-11(13)7-9-4-5-10(8-11)12-9/h2,9-10,12-13H,1,3-8H2
InChIKeyBQIXSDKYZJWBEN-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.60
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)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952293
3-(3,4,4-Trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964325
(1R,5S)-3-ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 11205896
spiro[3H-furan-2,3'-8-azabicyclo[3.2.1]octane]
CID 22339768
3-Ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45083126
3-Propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63588503
3-Butyl-8-azabicyclo[3.2.1]octan-3-ol
CID 65146055
3-Pentyl-8-azabicyclo[3.2.1]octan-3-ol
CID 65146057
3-Prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 79190119
(1S,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 1503687
8-Methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 4916803
(1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6987598

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol (CID 130847455) is 3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol is C=CCCC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BQIXSDKYZJWBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-6-11(13)7-9-4-5-10(8-11)12-9/h2,9-10,12-13H,1,3-8H2.
What are the key properties of 3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol?
3-but-3-enyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.60, 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-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 130847455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).