3-pyrrolidin-2-ylbut-3-en-1-ol

C8H15NO — CID 72956246

IUPAC3-pyrrolidin-2-ylbut-3-en-1-ol
SMILESC=C(CCO)C1CCCN1
InChIInChI=1S/C8H15NO/c1-7(4-6-10)8-3-2-5-9-8/h8-10H,1-6H2
InChIKeyWHOAQXYSEKEUDN-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds3

About 3-pyrrolidin-2-ylbut-3-en-1-ol

3-pyrrolidin-2-ylbut-3-en-1-ol (PubChem CID 72956246) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-pyrrolidin-2-ylbut-3-en-1-ol.

Molecular Properties

Compound Name3-pyrrolidin-2-ylbut-3-en-1-ol
PubChem CID72956246
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-pyrrolidin-2-ylbut-3-en-1-ol
SMILESC=C(CCO)C1CCCN1
InChIInChI=1S/C8H15NO/c1-7(4-6-10)8-3-2-5-9-8/h8-10H,1-6H2
InChIKeyWHOAQXYSEKEUDN-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-[(2s)-Pyrrolidin-2-yl)-3-buten-1-ol
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7-(Propan-2-ylamino)-3-prop-1-enylideneheptan-1-ol
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(E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol
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3-[1-[2-[(Propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
CID 103070347
3-[1-[2-(Ethylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
CID 103070348
3-[1-[2-(Propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
CID 113771610
2-Pyrrolidin-2-ylprop-2-en-1-ol
CID 117266671
2-(Pyrrolidin-2-ylmethyl)prop-2-en-1-ol
CID 117266684
3-(1-Methylpyrrolidin-2-yl)but-3-en-1-ol
CID 117268509
3-(1-Ethylpyrrolidin-2-yl)but-3-en-1-ol
CID 117268510

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-ylbut-3-en-1-ol?
The IUPAC name of 3-pyrrolidin-2-ylbut-3-en-1-ol (CID 72956246) is 3-pyrrolidin-2-ylbut-3-en-1-ol.
What is the SMILES notation for 3-pyrrolidin-2-ylbut-3-en-1-ol?
The canonical SMILES for 3-pyrrolidin-2-ylbut-3-en-1-ol is C=C(CCO)C1CCCN1.
What is the InChIKey of 3-pyrrolidin-2-ylbut-3-en-1-ol?
The InChIKey is WHOAQXYSEKEUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(4-6-10)8-3-2-5-9-8/h8-10H,1-6H2.
What are the key properties of 3-pyrrolidin-2-ylbut-3-en-1-ol?
3-pyrrolidin-2-ylbut-3-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-ylbut-3-en-1-ol is sourced from PubChem (CID 72956246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).