3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

C13H23NO — CID 171952498

IUPAC3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC=C(C)C1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C13H23NO/c1-4-10(2)13(15)8-11-6-5-7-12(9-13)14(11)3/h4,11-12,15H,5-9H2,1-3H3
InChIKeyJIZMUBSXYLKNNQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds1

About 3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952498) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952498
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC=C(C)C1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C13H23NO/c1-4-10(2)13(15)8-11-6-5-7-12(9-13)14(11)3/h4,11-12,15H,5-9H2,1-3H3
InChIKeyJIZMUBSXYLKNNQ-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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
(Dimethylaminoethyl)bis(1-cyclohexenyl)-methanol
CID 54563448
4-(Cycloocten-1-yl)-1-methylpiperidin-4-ol
CID 106650845
4-(Cyclohexen-1-yl)-1-methylpiperidin-4-ol
CID 106650846
4-(Cyclohepten-1-yl)-1-methylpiperidin-4-ol
CID 106650847
4-(Cycloocten-1-yl)-1-ethylpiperidin-4-ol
CID 106650848
4-(Cyclohexen-1-yl)-1-ethylpiperidin-4-ol
CID 106650849
4-(Cyclohepten-1-yl)-1-ethylpiperidin-4-ol
CID 106650850
4-(Cycloocten-1-yl)-1-propylpiperidin-4-ol
CID 106650851
4-(Cyclohexen-1-yl)-1-propylpiperidin-4-ol
CID 106650852
4-(Cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol
CID 106650853
4-(Cyclohexen-1-yl)-1-propan-2-ylpiperidin-4-ol
CID 106650854

Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952498) is 3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is CC=C(C)C1(O)CC2CCCC(C1)N2C.
What is the InChIKey of 3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is JIZMUBSXYLKNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-10(2)13(15)8-11-6-5-7-12(9-13)14(11)3/h4,11-12,15H,5-9H2,1-3H3.
What are the key properties of 3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 209.33 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-en-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).