[(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol

C7H13NO — CID 167729373

IUPAC[(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol
SMILESOC[C@@H]1[C@H]2CCNC[C@@H]12
InChIInChI=1S/C7H13NO/c9-4-7-5-1-2-8-3-6(5)7/h5-9H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyJMRSEYSXJOYNJL-RRKCRQDMSA-N
MW127.19 g/mol
LogP-0.17
Rot. Bonds1

About [(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol

[(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol (PubChem CID 167729373) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol.

Molecular Properties

Compound Name[(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol
PubChem CID167729373
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol
SMILESOC[C@@H]1[C@H]2CCNC[C@@H]12
InChIInChI=1S/C7H13NO/c9-4-7-5-1-2-8-3-6(5)7/h5-9H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyJMRSEYSXJOYNJL-RRKCRQDMSA-N
XLogP-0.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol?
The IUPAC name of [(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol (CID 167729373) is [(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol.
What is the SMILES notation for [(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol?
The canonical SMILES for [(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol is OC[C@@H]1[C@H]2CCNC[C@@H]12.
What is the InChIKey of [(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol?
The InChIKey is JMRSEYSXJOYNJL-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H13NO/c9-4-7-5-1-2-8-3-6(5)7/h5-9H,1-4H2/t5-,6+,7+/m0/s1.
What are the key properties of [(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol?
[(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol is sourced from PubChem (CID 167729373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).