(1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol

C10H19NO2 — CID 129085494

IUPAC(1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol
SMILESO[C@@H]1[C@H](O)CCC[C@H]1N1CCCC1
InChIInChI=1S/C10H19NO2/c12-9-5-3-4-8(10(9)13)11-6-1-2-7-11/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1
InChIKeyPMKBFKAZYBXRBE-BBBLOLIVSA-N
MW185.27 g/mol
LogP0.36
Rot. Bonds1

About (1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol

(1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol (PubChem CID 129085494) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol
PubChem CID129085494
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol
SMILESO[C@@H]1[C@H](O)CCC[C@H]1N1CCCC1
InChIInChI=1S/C10H19NO2/c12-9-5-3-4-8(10(9)13)11-6-1-2-7-11/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1
InChIKeyPMKBFKAZYBXRBE-BBBLOLIVSA-N
XLogP0.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol?
The IUPAC name of (1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol (CID 129085494) is (1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol.
What is the SMILES notation for (1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol?
The canonical SMILES for (1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol is O[C@@H]1[C@H](O)CCC[C@H]1N1CCCC1.
What is the InChIKey of (1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol?
The InChIKey is PMKBFKAZYBXRBE-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H19NO2/c12-9-5-3-4-8(10(9)13)11-6-1-2-7-11/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1.
What are the key properties of (1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol?
(1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol has a molecular weight of 185.27 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-3-pyrrolidin-1-ylcyclohexane-1,2-diol is sourced from PubChem (CID 129085494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).