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

C7H13NO — CID 139417372

IUPAC2-methyl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCC1NCC2C(O)CC12
InChIInChI=1S/C7H13NO/c1-4-5-2-7(9)6(5)3-8-4/h4-9H,2-3H2,1H3
InChIKeyXPGIAYSJKKNJHX-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.02
Rot. Bonds

About 2-methyl-3-azabicyclo[3.2.0]heptan-6-ol

2-methyl-3-azabicyclo[3.2.0]heptan-6-ol (PubChem CID 139417372) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-3-azabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name2-methyl-3-azabicyclo[3.2.0]heptan-6-ol
PubChem CID139417372
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCC1NCC2C(O)CC12
InChIInChI=1S/C7H13NO/c1-4-5-2-7(9)6(5)3-8-4/h4-9H,2-3H2,1H3
InChIKeyXPGIAYSJKKNJHX-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 2-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of 2-methyl-3-azabicyclo[3.2.0]heptan-6-ol (CID 139417372) is 2-methyl-3-azabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for 2-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for 2-methyl-3-azabicyclo[3.2.0]heptan-6-ol is CC1NCC2C(O)CC12.
What is the InChIKey of 2-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The InChIKey is XPGIAYSJKKNJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-2-7(9)6(5)3-8-4/h4-9H,2-3H2,1H3.
What are the key properties of 2-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
2-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 2-methyl-3-azabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 139417372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).