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

C8H15NO — CID 89257057

IUPAC3-pyrrolidin-1-ylbut-3-en-2-ol
SMILESC=C(C(C)O)N1CCCC1
InChIInChI=1S/C8H15NO/c1-7(8(2)10)9-5-3-4-6-9/h8,10H,1,3-6H2,2H3
InChIKeyYMHZPLHPXBAZQM-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.98
Rot. Bonds2

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

3-pyrrolidin-1-ylbut-3-en-2-ol (PubChem CID 89257057) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylbut-3-en-2-ol.

Molecular Properties

Compound Name3-pyrrolidin-1-ylbut-3-en-2-ol
PubChem CID89257057
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-pyrrolidin-1-ylbut-3-en-2-ol
SMILESC=C(C(C)O)N1CCCC1
InChIInChI=1S/C8H15NO/c1-7(8(2)10)9-5-3-4-6-9/h8,10H,1,3-6H2,2H3
InChIKeyYMHZPLHPXBAZQM-UHFFFAOYSA-N
XLogP0.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylbut-3-en-2-ol?
The IUPAC name of 3-pyrrolidin-1-ylbut-3-en-2-ol (CID 89257057) is 3-pyrrolidin-1-ylbut-3-en-2-ol.
What is the SMILES notation for 3-pyrrolidin-1-ylbut-3-en-2-ol?
The canonical SMILES for 3-pyrrolidin-1-ylbut-3-en-2-ol is C=C(C(C)O)N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylbut-3-en-2-ol?
The InChIKey is YMHZPLHPXBAZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(8(2)10)9-5-3-4-6-9/h8,10H,1,3-6H2,2H3.
What are the key properties of 3-pyrrolidin-1-ylbut-3-en-2-ol?
3-pyrrolidin-1-ylbut-3-en-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylbut-3-en-2-ol is sourced from PubChem (CID 89257057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).