[(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol

C11H14ClNO — CID 129408298

IUPAC[(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CNC[C@H]1c1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c12-11-4-2-1-3-9(11)10-6-13-5-8(10)7-14/h1-4,8,10,13-14H,5-7H2/t8-,10-/m1/s1
InChIKeyMGNQLOJYBBCILH-PSASIEDQSA-N
MW211.69 g/mol
LogP1.64
Rot. Bonds2

About [(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol

[(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 129408298) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is [(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol
PubChem CID129408298
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name[(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CNC[C@H]1c1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c12-11-4-2-1-3-9(11)10-6-13-5-8(10)7-14/h1-4,8,10,13-14H,5-7H2/t8-,10-/m1/s1
InChIKeyMGNQLOJYBBCILH-PSASIEDQSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol (CID 129408298) is [(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol is OC[C@H]1CNC[C@H]1c1ccccc1Cl.
What is the InChIKey of [(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is MGNQLOJYBBCILH-PSASIEDQSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-11-4-2-1-3-9(11)10-6-13-5-8(10)7-14/h1-4,8,10,13-14H,5-7H2/t8-,10-/m1/s1.
What are the key properties of [(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 211.69 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 129408298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).