2-methyl-2-azabicyclo[2.2.1]heptan-7-ol

C7H13NO — CID 20583540

IUPAC2-methyl-2-azabicyclo[2.2.1]heptan-7-ol
SMILESCN1CC2CCC1C2O
InChIInChI=1S/C7H13NO/c1-8-4-5-2-3-6(8)7(5)9/h5-7,9H,2-4H2,1H3
InChIKeyVEAMBDREGBMOMX-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.07
Rot. Bonds

About 2-methyl-2-azabicyclo[2.2.1]heptan-7-ol

2-methyl-2-azabicyclo[2.2.1]heptan-7-ol (PubChem CID 20583540) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.2.1]heptan-7-ol
PubChem CID20583540
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-2-azabicyclo[2.2.1]heptan-7-ol
SMILESCN1CC2CCC1C2O
InChIInChI=1S/C7H13NO/c1-8-4-5-2-3-6(8)7(5)9/h5-7,9H,2-4H2,1H3
InChIKeyVEAMBDREGBMOMX-UHFFFAOYSA-N
XLogP0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azabicyclo[2.2.1]heptan-7-ol?
The IUPAC name of 2-methyl-2-azabicyclo[2.2.1]heptan-7-ol (CID 20583540) is 2-methyl-2-azabicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for 2-methyl-2-azabicyclo[2.2.1]heptan-7-ol is CN1CC2CCC1C2O.
What is the InChIKey of 2-methyl-2-azabicyclo[2.2.1]heptan-7-ol?
The InChIKey is VEAMBDREGBMOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-4-5-2-3-6(8)7(5)9/h5-7,9H,2-4H2,1H3.
What are the key properties of 2-methyl-2-azabicyclo[2.2.1]heptan-7-ol?
2-methyl-2-azabicyclo[2.2.1]heptan-7-ol has a molecular weight of 127.19 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 20583540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).