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

C13H23NO — CID 171952639

IUPAC3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=CCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C13H23NO/c1-3-4-8-13(15)9-11-6-5-7-12(10-13)14(11)2/h3,11-12,15H,1,4-10H2,2H3
InChIKeyCSFBRFNQGRCSFT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds3

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

3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952639) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952639
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=CCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C13H23NO/c1-3-4-8-13(15)9-11-6-5-7-12(10-13)14(11)2/h3,11-12,15H,1,4-10H2,2H3
InChIKeyCSFBRFNQGRCSFT-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952304
9-Methyl-3-(3,4,4-trifluorobut-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964336
3-Methyl-9-(propan-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 21304869
3-Methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 45792731
(1S,5R)-3-methyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 51893329
(1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 51893331
(1R,5R)-3-methyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98053832
(1S,5S)-3-methyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98053833
(1R,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069963
(1S,5S)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069964
3-Hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952098
3-Hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952107

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952639) is 3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is C=CCCC1(O)CC2CCCC(C1)N2C.
What is the InChIKey of 3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is CSFBRFNQGRCSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-8-13(15)9-11-6-5-7-12(10-13)14(11)2/h3,11-12,15H,1,4-10H2,2H3.
What are the key properties of 3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 209.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).