[(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol

C₁₃H₂₅NO — CID 141033887

About [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol

[(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol (PubChem CID 141033887) has the molecular formula C₁₃H₂₅NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol
• PubChem CID: 141033887
• Molecular Formula: C₁₃H₂₅NO
• Molecular Weight: 211.35 g/mol
• Exact Mass: 211.19
• IUPAC Name: [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol
• SMILES: OC[C@@H]1CCCN1CCC1CCCCC1
• InChI: InChI=1S/C13H25NO/c15-11-13-7-4-9-14(13)10-8-12-5-2-1-3-6-12/h12-13,15H,1-11H2/t13-/m0/s1
• InChIKey: FXOHJNHIHLUINQ-ZDUSSCGKSA-N
• XLogP: 2.41
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	211.35
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol?

The IUPAC name of [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol (CID 141033887) is [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol.

What is the SMILES notation for [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol?

The canonical SMILES for [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CCC1CCCCC1.

What is the InChIKey of [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol?

The InChIKey is FXOHJNHIHLUINQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25NO/c15-11-13-7-4-9-14(13)10-8-12-5-2-1-3-6-12/h12-13,15H,1-11H2/t13-/m0/s1.

What are the key properties of [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol?

[(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 141033887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141033887 — identifiers, structure, computed properties (public domain)

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