[(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol

C11H19NO — CID 70072919

IUPAC[(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC(C2C=CCCC2)CN1
InChIInChI=1S/C11H19NO/c13-8-11-6-10(7-12-11)9-4-2-1-3-5-9/h2,4,9-13H,1,3,5-8H2/t9?,10?,11-/m0/s1
InChIKeyCWQDGCBUPXGAEL-ILDUYXDCSA-N
MW181.28 g/mol
LogP1.31
Rot. Bonds2

About [(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol

[(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol (PubChem CID 70072919) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
PubChem CID70072919
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC(C2C=CCCC2)CN1
InChIInChI=1S/C11H19NO/c13-8-11-6-10(7-12-11)9-4-2-1-3-5-9/h2,4,9-13H,1,3,5-8H2/t9?,10?,11-/m0/s1
InChIKeyCWQDGCBUPXGAEL-ILDUYXDCSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol (CID 70072919) is [(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol is OC[C@@H]1CC(C2C=CCCC2)CN1.
What is the InChIKey of [(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol?
The InChIKey is CWQDGCBUPXGAEL-ILDUYXDCSA-N. The full InChI is InChI=1S/C11H19NO/c13-8-11-6-10(7-12-11)9-4-2-1-3-5-9/h2,4,9-13H,1,3,5-8H2/t9?,10?,11-/m0/s1.
What are the key properties of [(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol?
[(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol has a molecular weight of 181.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 70072919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).