5-methyl-3-azabicyclo[3.2.0]heptan-6-ol

C7H13NO — CID 139417373

IUPAC5-methyl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCC12CNCC1CC2O
InChIInChI=1S/C7H13NO/c1-7-4-8-3-5(7)2-6(7)9/h5-6,8-9H,2-4H2,1H3
InChIKeyURXCNGWOPZVHJL-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.02
Rot. Bonds

About 5-methyl-3-azabicyclo[3.2.0]heptan-6-ol

5-methyl-3-azabicyclo[3.2.0]heptan-6-ol (PubChem CID 139417373) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-methyl-3-azabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name5-methyl-3-azabicyclo[3.2.0]heptan-6-ol
PubChem CID139417373
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-methyl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCC12CNCC1CC2O
InChIInChI=1S/C7H13NO/c1-7-4-8-3-5(7)2-6(7)9/h5-6,8-9H,2-4H2,1H3
InChIKeyURXCNGWOPZVHJL-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of 5-methyl-3-azabicyclo[3.2.0]heptan-6-ol (CID 139417373) is 5-methyl-3-azabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for 5-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for 5-methyl-3-azabicyclo[3.2.0]heptan-6-ol is CC12CNCC1CC2O.
What is the InChIKey of 5-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The InChIKey is URXCNGWOPZVHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7-4-8-3-5(7)2-6(7)9/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 5-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
5-methyl-3-azabicyclo[3.2.0]heptan-6-ol has a molecular weight of 127.19 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-azabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 139417373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).