2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol

C13H23NO — CID 114339230

IUPAC2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESC/C=C/CN1CCCC1C1CCCC1O
InChIInChI=1S/C13H23NO/c1-2-3-9-14-10-5-7-12(14)11-6-4-8-13(11)15/h2-3,11-13,15H,4-10H2,1H3/b3-2+
InChIKeyDOASBWUVVYHDRD-NSCUHMNNSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds3

About 2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 114339230) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID114339230
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESC/C=C/CN1CCCC1C1CCCC1O
InChIInChI=1S/C13H23NO/c1-2-3-9-14-10-5-7-12(14)11-6-4-8-13(11)15/h2-3,11-13,15H,4-10H2,1H3/b3-2+
InChIKeyDOASBWUVVYHDRD-NSCUHMNNSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-Dihydropyrrol-1-ylmethyl)cyclopentan-1-ol
CID 104550149
2-[1-(3-Chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 106440951
2-(1-Hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol
CID 107011017
2-(1-Pentan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol
CID 107890499
2-(1-Hexylpyrrolidin-2-yl)cyclopentan-1-ol
CID 113569243
2-[1-(4-Methylpentyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 113569280
2-(1-Cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclopentan-1-ol
CID 113609126
2-[1-(2-Methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339020
2-(1-Butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol
CID 114339021
2-[1-(3-Methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339022
2-[1-(2-Methylpentyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339035
2-(1-Butylpyrrolidin-2-yl)cyclopentan-1-ol
CID 114339069

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 114339230) is 2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol is C/C=C/CN1CCCC1C1CCCC1O.
What is the InChIKey of 2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is DOASBWUVVYHDRD-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-9-14-10-5-7-12(14)11-6-4-8-13(11)15/h2-3,11-13,15H,4-10H2,1H3/b3-2+.
What are the key properties of 2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114339230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).