(3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol

C10H19NO — CID 140584555

IUPAC(3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol
SMILESCN1C[C@H](C2CCCC2)[C@@H](O)C1
InChIInChI=1S/C10H19NO/c1-11-6-9(10(12)7-11)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyZKFLMCDMWCQPDB-ZJUUUORDSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds1

About (3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol

(3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol (PubChem CID 140584555) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol
PubChem CID140584555
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol
SMILESCN1C[C@H](C2CCCC2)[C@@H](O)C1
InChIInChI=1S/C10H19NO/c1-11-6-9(10(12)7-11)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyZKFLMCDMWCQPDB-ZJUUUORDSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol (CID 140584555) is (3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol is CN1C[C@H](C2CCCC2)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol?
The InChIKey is ZKFLMCDMWCQPDB-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-6-9(10(12)7-11)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol?
(3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopentyl-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 140584555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).