(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol

C11H19NO — CID 7223736

IUPAC(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCC1(O)C[C@H]2CC[C@H](C1)N2C
InChIInChI=1S/C11H19NO/c1-3-6-11(13)7-9-4-5-10(8-11)12(9)2/h3,9-10,13H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyGGFSOCCIXCDGTH-NXEZZACHSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds2

About (1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol

(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 7223736) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID7223736
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCC1(O)C[C@H]2CC[C@H](C1)N2C
InChIInChI=1S/C11H19NO/c1-3-6-11(13)7-9-4-5-10(8-11)12(9)2/h3,9-10,13H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyGGFSOCCIXCDGTH-NXEZZACHSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol (CID 7223736) is (1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol is C=CCC1(O)C[C@H]2CC[C@H](C1)N2C.
What is the InChIKey of (1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GGFSOCCIXCDGTH-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-6-11(13)7-9-4-5-10(8-11)12(9)2/h3,9-10,13H,1,4-8H2,2H3/t9-,10-/m1/s1.
What are the key properties of (1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 7223736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).