(1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol

C6H11NO — CID 95566586

IUPAC(1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol
SMILESO[C@@]12CCNC[C@@H]1C2
InChIInChI=1S/C6H11NO/c8-6-1-2-7-4-5(6)3-6/h5,7-8H,1-4H2/t5-,6+/m0/s1
InChIKeyYXNPVBNVXFDPHF-NTSWFWBYSA-N
MW113.16 g/mol
LogP-0.27
Rot. Bonds

About (1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol

(1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol (PubChem CID 95566586) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol.

Molecular Properties

Compound Name(1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol
PubChem CID95566586
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol
SMILESO[C@@]12CCNC[C@@H]1C2
InChIInChI=1S/C6H11NO/c8-6-1-2-7-4-5(6)3-6/h5,7-8H,1-4H2/t5-,6+/m0/s1
InChIKeyYXNPVBNVXFDPHF-NTSWFWBYSA-N
XLogP-0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol?
The IUPAC name of (1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol (CID 95566586) is (1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol.
What is the SMILES notation for (1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol?
The canonical SMILES for (1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol is O[C@@]12CCNC[C@@H]1C2.
What is the InChIKey of (1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol?
The InChIKey is YXNPVBNVXFDPHF-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11NO/c8-6-1-2-7-4-5(6)3-6/h5,7-8H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol?
(1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol has a molecular weight of 113.16 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-3-azabicyclo[4.1.0]heptan-6-ol is sourced from PubChem (CID 95566586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).