2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol

C11H19NO — CID 10845125

IUPAC2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol
SMILESCN1[C@H]2C=C[C@@H](C(C)(C)O)[C@@H]1CC2
InChIInChI=1S/C11H19NO/c1-11(2,13)9-6-4-8-5-7-10(9)12(8)3/h4,6,8-10,13H,5,7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKeyBMQNXNNAVFIWBD-AEJSXWLSSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds1

About 2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol

2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol (PubChem CID 10845125) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol
PubChem CID10845125
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol
SMILESCN1[C@H]2C=C[C@@H](C(C)(C)O)[C@@H]1CC2
InChIInChI=1S/C11H19NO/c1-11(2,13)9-6-4-8-5-7-10(9)12(8)3/h4,6,8-10,13H,5,7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKeyBMQNXNNAVFIWBD-AEJSXWLSSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol with MolForge

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Related Compounds

(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
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
methyl (1R,4R,5S)-4-(2-hydroxypropan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 10823072
3-Hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952098
8-Methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952147
3-But-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952629
8-Methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952848
8-Methyl-3-pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952873
8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171953194
3-Hept-6-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171964228

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol?
The IUPAC name of 2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol (CID 10845125) is 2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol?
The canonical SMILES for 2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol is CN1[C@H]2C=C[C@@H](C(C)(C)O)[C@@H]1CC2.
What is the InChIKey of 2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol?
The InChIKey is BMQNXNNAVFIWBD-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,13)9-6-4-8-5-7-10(9)12(8)3/h4,6,8-10,13H,5,7H2,1-3H3/t8-,9+,10-/m0/s1.
What are the key properties of 2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol?
2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol has a molecular weight of 181.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol is sourced from PubChem (CID 10845125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).