2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol

C13H23NO — CID 114339187

IUPAC2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol
SMILESC=CC(C)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H23NO/c1-3-10(2)14-9-5-7-12(14)11-6-4-8-13(11)15/h3,10-13,15H,1,4-9H2,2H3
InChIKeyQHIUCDLCDZURNY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds3

About 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol

2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol (PubChem CID 114339187) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol
PubChem CID114339187
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol
SMILESC=CC(C)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H23NO/c1-3-10(2)14-9-5-7-12(14)11-6-4-8-13(11)15/h3,10-13,15H,1,4-9H2,2H3
InChIKeyQHIUCDLCDZURNY-UHFFFAOYSA-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

(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol
CID 57076025
2-(3-Methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol
CID 70469575
1-[1-(3-Methylhex-5-en-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 104175789
2-[[Methyl(3-methylhex-5-en-2-yl)amino]methyl]cyclopentan-1-ol
CID 104175939
2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 104323435
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-Hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol
CID 107011018
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-(2-Methylidenebutyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 113569290

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol?
The IUPAC name of 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol (CID 114339187) is 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol is C=CC(C)N1CCCC1C1CCCC1O.
What is the InChIKey of 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol?
The InChIKey is QHIUCDLCDZURNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-10(2)14-9-5-7-12(14)11-6-4-8-13(11)15/h3,10-13,15H,1,4-9H2,2H3.
What are the key properties of 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol?
2-(1-but-3-en-2-ylpyrrolidin-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-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 114339187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).