trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol

C10H17NO — CID 54494610

IUPACtrans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CC=CC1
InChIInChI=1S/C10H17NO/c12-10-6-2-1-5-9(10)11-7-3-4-8-11/h3-4,9-10,12H,1-2,5-8H2/t9-,10-/m0/s1
InChIKeyXYDYDWBMKPWWRY-UWVGGRQHSA-N
MW167.25 g/mol
LogP1.16
Rot. Bonds1

About trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol (PubChem CID 54494610) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol
PubChem CID54494610
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nametrans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CC=CC1
InChIInChI=1S/C10H17NO/c12-10-6-2-1-5-9(10)11-7-3-4-8-11/h3-4,9-10,12H,1-2,5-8H2/t9-,10-/m0/s1
InChIKeyXYDYDWBMKPWWRY-UWVGGRQHSA-N
XLogP1.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
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 trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol (CID 54494610) is trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1N1CC=CC1.
What is the InChIKey of trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol?
The InChIKey is XYDYDWBMKPWWRY-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-6-2-1-5-9(10)11-7-3-4-8-11/h3-4,9-10,12H,1-2,5-8H2/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 54494610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).