1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol

C11H19NO — CID 155141463

IUPAC1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCC(O)(C1=CCCC1)[C@@H]1CCCN1
InChIInChI=1S/C11H19NO/c1-11(13,9-5-2-3-6-9)10-7-4-8-12-10/h5,10,12-13H,2-4,6-8H2,1H3/t10-,11?/m0/s1
InChIKeyDAVJSAWCJAIFPK-VUWPPUDQSA-N
MW181.28 g/mol
LogP1.60
Rot. Bonds2

About 1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol

1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 155141463) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID155141463
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCC(O)(C1=CCCC1)[C@@H]1CCCN1
InChIInChI=1S/C11H19NO/c1-11(13,9-5-2-3-6-9)10-7-4-8-12-10/h5,10,12-13H,2-4,6-8H2,1H3/t10-,11?/m0/s1
InChIKeyDAVJSAWCJAIFPK-VUWPPUDQSA-N
XLogP1.60
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 ≤ 51.60
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 1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 155141463) is 1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol is CC(O)(C1=CCCC1)[C@@H]1CCCN1.
What is the InChIKey of 1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is DAVJSAWCJAIFPK-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(13,9-5-2-3-6-9)10-7-4-8-12-10/h5,10,12-13H,2-4,6-8H2,1H3/t10-,11?/m0/s1.
What are the key properties of 1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol has a molecular weight of 181.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 155141463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).