(1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol

C9H15NO — CID 22215222

IUPAC(1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol
SMILESCN1[C@@H]2CC=C[C@H]1CC[C@H]2O
InChIInChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)9(11)6-5-7/h2-3,7-9,11H,4-6H2,1H3/t7-,8+,9+/m0/s1
InChIKeyNBKKZTDZNFWPIO-DJLDLDEBSA-N
MW153.23 g/mol
LogP0.77
Rot. Bonds

About (1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol

(1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol (PubChem CID 22215222) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol.

Molecular Properties

Compound Name(1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol
PubChem CID22215222
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol
SMILESCN1[C@@H]2CC=C[C@H]1CC[C@H]2O
InChIInChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)9(11)6-5-7/h2-3,7-9,11H,4-6H2,1H3/t7-,8+,9+/m0/s1
InChIKeyNBKKZTDZNFWPIO-DJLDLDEBSA-N
XLogP0.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.77
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,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol?
The IUPAC name of (1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol (CID 22215222) is (1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol.
What is the SMILES notation for (1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol?
The canonical SMILES for (1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol is CN1[C@@H]2CC=C[C@H]1CC[C@H]2O.
What is the InChIKey of (1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol?
The InChIKey is NBKKZTDZNFWPIO-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)9(11)6-5-7/h2-3,7-9,11H,4-6H2,1H3/t7-,8+,9+/m0/s1.
What are the key properties of (1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol?
(1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol has a molecular weight of 153.23 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-9-methyl-9-azabicyclo[3.3.1]non-6-en-2-ol is sourced from PubChem (CID 22215222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).