1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol

C10H19NO — CID 112628254

IUPAC1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol
SMILESC=CC(C)N1CCC(C(C)O)C1
InChIInChI=1S/C10H19NO/c1-4-8(2)11-6-5-10(7-11)9(3)12/h4,8-10,12H,1,5-7H2,2-3H3
InChIKeyOFSZLRMLEJPIAS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.26
Rot. Bonds3

About 1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol

1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol (PubChem CID 112628254) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol
PubChem CID112628254
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol
SMILESC=CC(C)N1CCC(C(C)O)C1
InChIInChI=1S/C10H19NO/c1-4-8(2)11-6-5-10(7-11)9(3)12/h4,8-10,12H,1,5-7H2,2-3H3
InChIKeyOFSZLRMLEJPIAS-UHFFFAOYSA-N
XLogP1.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.26
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

ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 176573515
1-but-3-en-2-yl-3-ethylpyrrolidine
CID 130978482
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 112624811
(3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol
CID 79419761
1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride
CID 130718922
(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol
CID 59544008
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 56787482
1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol
CID 112624601
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 112626240
prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 112627490
(3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine
CID 166764327
1-but-3-en-2-yl-4-methylazepane
CID 131042080

Frequently Asked Questions

What is the IUPAC name of 1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol?
The IUPAC name of 1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol (CID 112628254) is 1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol is C=CC(C)N1CCC(C(C)O)C1.
What is the InChIKey of 1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol?
The InChIKey is OFSZLRMLEJPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8(2)11-6-5-10(7-11)9(3)12/h4,8-10,12H,1,5-7H2,2-3H3.
What are the key properties of 1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol?
1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 112628254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).