(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol

C11H21NO — CID 46939140

IUPAC(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1CC1CCCCC1
InChIInChI=1S/C11H21NO/c13-11-8-12-7-10(11)6-9-4-2-1-3-5-9/h9-13H,1-8H2/t10-,11-/m0/s1
InChIKeyVDZUZJSBDXUGNF-QWRGUYRKSA-N
MW183.29 g/mol
LogP1.54
Rot. Bonds2

About (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol

(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol (PubChem CID 46939140) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol
PubChem CID46939140
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1CC1CCCCC1
InChIInChI=1S/C11H21NO/c13-11-8-12-7-10(11)6-9-4-2-1-3-5-9/h9-13H,1-8H2/t10-,11-/m0/s1
InChIKeyVDZUZJSBDXUGNF-QWRGUYRKSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol (CID 46939140) is (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol is O[C@H]1CNC[C@@H]1CC1CCCCC1.
What is the InChIKey of (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol?
The InChIKey is VDZUZJSBDXUGNF-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21NO/c13-11-8-12-7-10(11)6-9-4-2-1-3-5-9/h9-13H,1-8H2/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol?
(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 46939140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).