(2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine

C8H15N — CID 639456

IUPAC(2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine
SMILESC=C[C@@H](C)[C@@H]1CCCN1
InChIInChI=1S/C8H15N/c1-3-7(2)8-5-4-6-9-8/h3,7-9H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyFASCWLWEGJNYRR-SFYZADRCSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds2

About (2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine

(2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine (PubChem CID 639456) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine
PubChem CID639456
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine
SMILESC=C[C@@H](C)[C@@H]1CCCN1
InChIInChI=1S/C8H15N/c1-3-7(2)8-5-4-6-9-8/h3,7-9H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyFASCWLWEGJNYRR-SFYZADRCSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine?
The IUPAC name of (2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine (CID 639456) is (2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine?
The canonical SMILES for (2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine is C=C[C@@H](C)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine?
The InChIKey is FASCWLWEGJNYRR-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15N/c1-3-7(2)8-5-4-6-9-8/h3,7-9H,1,4-6H2,2H3/t7-,8+/m1/s1.
What are the key properties of (2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine?
(2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine is sourced from PubChem (CID 639456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).