(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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Related Compounds

(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 74892078
(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol
CID 98114773
(1R,4S,7S)-7-bromo-2-azabicyclo[2.2.1]heptane
CID 98071510
(1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol
CID 166000280
(2S,4R)-2,4-dicyclopropylpyrrolidine
CID 92569047
(1S,5S)-2-azabicyclo[3.3.1]nonan-9-ol
CID 55287376
2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid
CID 126506712
(1S,4S)-2-azabicyclo[2.1.0]pentane
CID 29082085
(1R,4R)-2-azabicyclo[2.1.0]pentane
CID 29082087
4-azatricyclo[4.3.1.13,8]undecan-2-ol
CID 12518461
methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate
CID 129430636
7-azatricyclo[4.3.0.03,9]nonane
CID 45092436

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).