(1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol

C8H15NO — CID 11355528

IUPAC(1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h2,7-10H,1,3-6H2/t7-,8+/m0/s1
InChIKeyIRULEIXILFZTEE-JGVFFNPUSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds3

About (1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol

(1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol (PubChem CID 11355528) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol
PubChem CID11355528
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h2,7-10H,1,3-6H2/t7-,8+/m0/s1
InChIKeyIRULEIXILFZTEE-JGVFFNPUSA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol?
The IUPAC name of (1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol (CID 11355528) is (1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol.
What is the SMILES notation for (1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol?
The canonical SMILES for (1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol is C=CC[C@@H](O)[C@@H]1CCCN1.
What is the InChIKey of (1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol?
The InChIKey is IRULEIXILFZTEE-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h2,7-10H,1,3-6H2/t7-,8+/m0/s1.
What are the key properties of (1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol?
(1R)-1-[(2S)-pyrrolidin-2-yl]but-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 (1R)-1-[(2S)-pyrrolidin-2-yl]but-3-en-1-ol is sourced from PubChem (CID 11355528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).