[(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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Related Compounds

(6-fluoro-2,3,3a,6,7,7a-hexahydro-1H-indol-3-yl)methanol
CID 123939948
2-Azabicyclo[2.2.1]hept-5-en-3-ylmethanol
CID 45092477
[(2S,4S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
CID 56618141
[(1S,2S,3S,6R,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol
CID 58907249
[(1S)-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 58907279
[(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol
CID 59664739
[(1S,3aR,7R,7aS)-7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 67518732
[(1S,3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 67566586
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809
1-Cyclohex-3-en-1-yl-8-azabicyclo[3.2.1]octan-2-ol
CID 69684639
(6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol
CID 89219129
[(1R,2S,3S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol
CID 89291766

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).