(1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol

C6H11NO — CID 55253029

IUPAC(1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol
SMILESOC1[C@@H]2CC[C@H]1NC2
InChIInChI=1S/C6H11NO/c8-6-4-1-2-5(6)7-3-4/h4-8H,1-3H2/t4-,5-,6?/m1/s1
InChIKeyMNTXVNZRTFTVKM-QYRBDRAASA-N
MW113.16 g/mol
LogP-0.27
Rot. Bonds

About (1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol

(1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol (PubChem CID 55253029) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name(1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol
PubChem CID55253029
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol
SMILESOC1[C@@H]2CC[C@H]1NC2
InChIInChI=1S/C6H11NO/c8-6-4-1-2-5(6)7-3-4/h4-8H,1-3H2/t4-,5-,6?/m1/s1
InChIKeyMNTXVNZRTFTVKM-QYRBDRAASA-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 (1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol?
The IUPAC name of (1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol (CID 55253029) is (1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for (1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for (1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol is OC1[C@@H]2CC[C@H]1NC2.
What is the InChIKey of (1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol?
The InChIKey is MNTXVNZRTFTVKM-QYRBDRAASA-N. The full InChI is InChI=1S/C6H11NO/c8-6-4-1-2-5(6)7-3-4/h4-8H,1-3H2/t4-,5-,6?/m1/s1.
What are the key properties of (1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol?
(1R,4R)-2-azabicyclo[2.2.1]heptan-7-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 (1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 55253029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).