(5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol

C7H13NO — CID 88553666

IUPAC(5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol
SMILES[CH2-][NH+]1CC2CC1C[C@H]2O
InChIInChI=1S/C7H13NO/c1-8-4-5-2-6(8)3-7(5)9/h5-9H,1-4H2/t5?,6?,7-/m1/s1
InChIKeyHIILSENNNDCUGA-KPGICGJXSA-N
MW127.19 g/mol
LogP-1.18
Rot. Bonds

About (5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol

(5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol (PubChem CID 88553666) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol.

Molecular Properties

Compound Name(5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol
PubChem CID88553666
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol
SMILES[CH2-][NH+]1CC2CC1C[C@H]2O
InChIInChI=1S/C7H13NO/c1-8-4-5-2-6(8)3-7(5)9/h5-9H,1-4H2/t5?,6?,7-/m1/s1
InChIKeyHIILSENNNDCUGA-KPGICGJXSA-N
XLogP-1.18
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol
CID 59130953
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
CID 10855621
(1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride
CID 71472116
5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride
CID 155970536
(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol
CID 139364909
(2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol
CID 6984969
(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7201099
(1R,2R,4R)-4-amino-2-fluorocyclopentan-1-ol
CID 55285503
2-amino-4,5-dimethylcyclohexan-1-ol
CID 13425492
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
cis-(1R,2S)-cyclopentane-1,2,4-triol
CID 11073392

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol?
The IUPAC name of (5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol (CID 88553666) is (5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol.
What is the SMILES notation for (5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol?
The canonical SMILES for (5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol is [CH2-][NH+]1CC2CC1C[C@H]2O.
What is the InChIKey of (5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol?
The InChIKey is HIILSENNNDCUGA-KPGICGJXSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-4-5-2-6(8)3-7(5)9/h5-9H,1-4H2/t5?,6?,7-/m1/s1.
What are the key properties of (5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol?
(5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol has a molecular weight of 127.19 g/mol, XLogP of -1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol is sourced from PubChem (CID 88553666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).