(2S)-2-ethenylpyrrolidine

C6H11N — CID 15306667

IUPAC(2S)-2-ethenylpyrrolidine
SMILESC=C[C@@H]1CCCN1
InChIInChI=1S/C6H11N/c1-2-6-4-3-5-7-6/h2,6-7H,1,3-5H2/t6-/m1/s1
InChIKeyXNVAUNOSRHPXCY-ZCFIWIBFSA-N
MW97.16 g/mol
LogP0.92
Rot. Bonds1

About (2S)-2-ethenylpyrrolidine

(2S)-2-ethenylpyrrolidine (PubChem CID 15306667) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (2S)-2-ethenylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-ethenylpyrrolidine
PubChem CID15306667
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(2S)-2-ethenylpyrrolidine
SMILESC=C[C@@H]1CCCN1
InChIInChI=1S/C6H11N/c1-2-6-4-3-5-7-6/h2,6-7H,1,3-5H2/t6-/m1/s1
InChIKeyXNVAUNOSRHPXCY-ZCFIWIBFSA-N
XLogP0.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-Azabicyclo[3.2.1]oct-2-ene
CID 138546
2-(3-Buten-1-yl)pyrrolidine
CID 13350948
7-Azanorbornene
CID 143286
Pyrrolidine, 2-(2-propenyl)-
CID 11137313
2-Ethenylpyrrolidine hydrochloride
CID 23128270
(2S)-2-(prop-2-en-1-yl)pyrrolidine hydrochloride
CID 130367805
2-Ethenyl-pyrrolidine
CID 18521191
2-[(Z)-prop-1-enyl]pyrrolidine
CID 24777096
2-[(E)-prop-1-enyl]pyrrolidine
CID 55288476
trans-2,5-Diallylpyrrolidine
CID 14944177
(S)-2-Allylpyrrolidine
CID 13283820
cis-2,5-Diallylpyrrolidine
CID 14944176

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenylpyrrolidine?
The IUPAC name of (2S)-2-ethenylpyrrolidine (CID 15306667) is (2S)-2-ethenylpyrrolidine.
What is the SMILES notation for (2S)-2-ethenylpyrrolidine?
The canonical SMILES for (2S)-2-ethenylpyrrolidine is C=C[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-ethenylpyrrolidine?
The InChIKey is XNVAUNOSRHPXCY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11N/c1-2-6-4-3-5-7-6/h2,6-7H,1,3-5H2/t6-/m1/s1.
What are the key properties of (2S)-2-ethenylpyrrolidine?
(2S)-2-ethenylpyrrolidine has a molecular weight of 97.16 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenylpyrrolidine is sourced from PubChem (CID 15306667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).