9-methyl-9-azabicyclo[4.2.1]nonan-3-ol

C9H17NO — CID 18727363

IUPAC9-methyl-9-azabicyclo[4.2.1]nonan-3-ol
SMILESCN1C2CCC(O)CC1CC2
InChIInChI=1S/C9H17NO/c1-10-7-2-3-8(10)6-9(11)5-4-7/h7-9,11H,2-6H2,1H3
InChIKeyPTTVQSUKSCUZEG-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.99
Rot. Bonds

About 9-methyl-9-azabicyclo[4.2.1]nonan-3-ol

9-methyl-9-azabicyclo[4.2.1]nonan-3-ol (PubChem CID 18727363) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 9-methyl-9-azabicyclo[4.2.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-9-azabicyclo[4.2.1]nonan-3-ol
PubChem CID18727363
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name9-methyl-9-azabicyclo[4.2.1]nonan-3-ol
SMILESCN1C2CCC(O)CC1CC2
InChIInChI=1S/C9H17NO/c1-10-7-2-3-8(10)6-9(11)5-4-7/h7-9,11H,2-6H2,1H3
InChIKeyPTTVQSUKSCUZEG-UHFFFAOYSA-N
XLogP0.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-azabicyclo[4.2.1]nonan-3-ol?
The IUPAC name of 9-methyl-9-azabicyclo[4.2.1]nonan-3-ol (CID 18727363) is 9-methyl-9-azabicyclo[4.2.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-9-azabicyclo[4.2.1]nonan-3-ol?
The canonical SMILES for 9-methyl-9-azabicyclo[4.2.1]nonan-3-ol is CN1C2CCC(O)CC1CC2.
What is the InChIKey of 9-methyl-9-azabicyclo[4.2.1]nonan-3-ol?
The InChIKey is PTTVQSUKSCUZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-7-2-3-8(10)6-9(11)5-4-7/h7-9,11H,2-6H2,1H3.
What are the key properties of 9-methyl-9-azabicyclo[4.2.1]nonan-3-ol?
9-methyl-9-azabicyclo[4.2.1]nonan-3-ol has a molecular weight of 155.24 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-azabicyclo[4.2.1]nonan-3-ol is sourced from PubChem (CID 18727363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).