(6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol

C7H12NO- — CID 88553663

IUPAC(6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol
SMILES[CH2-]N1CC2CC1[C@H](O)C2
InChIInChI=1S/C7H12NO/c1-8-4-5-2-6(8)7(9)3-5/h5-7,9H,1-4H2/q-1/t5?,6?,7-/m1/s1
InChIKeyALWQGEUOXGPYMV-KPGICGJXSA-N
MW126.18 g/mol
LogP0.23
Rot. Bonds

About (6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol

(6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol (PubChem CID 88553663) has the molecular formula C7H12NO- and a molecular weight of 126.18 g/mol. Its IUPAC name is (6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol.

Molecular Properties

Compound Name(6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol
PubChem CID88553663
Molecular FormulaC7H12NO-
Molecular Weight126.18 g/mol
Exact Mass126.09
IUPAC Name(6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol
SMILES[CH2-]N1CC2CC1[C@H](O)C2
InChIInChI=1S/C7H12NO/c1-8-4-5-2-6(8)7(9)3-5/h5-7,9H,1-4H2/q-1/t5?,6?,7-/m1/s1
InChIKeyALWQGEUOXGPYMV-KPGICGJXSA-N
XLogP0.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 15669541
6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 90415558
(1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 15669538
ethane;4-(6-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)benzonitrile
CID 144513145
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
(6R)-6-pyrrolidin-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932220
6-methyl-6-azatricyclo[6.3.1.04,10]dodecan-3-ol
CID 14085052
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
CID 10855621
(1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
CID 89102266
3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol
CID 166282059
4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol
CID 84655290
8-methyl-3-methylidene-8-azabicyclo[3.2.1]octan-6-ol
CID 58902791

Frequently Asked Questions

What is the IUPAC name of (6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol?
The IUPAC name of (6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol (CID 88553663) is (6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol.
What is the SMILES notation for (6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol?
The canonical SMILES for (6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol is [CH2-]N1CC2CC1[C@H](O)C2.
What is the InChIKey of (6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol?
The InChIKey is ALWQGEUOXGPYMV-KPGICGJXSA-N. The full InChI is InChI=1S/C7H12NO/c1-8-4-5-2-6(8)7(9)3-5/h5-7,9H,1-4H2/q-1/t5?,6?,7-/m1/s1.
What are the key properties of (6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol?
(6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol has a molecular weight of 126.18 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol is sourced from PubChem (CID 88553663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).