5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione

C9H15NS — CID 142244113

IUPAC5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione
SMILESCC/C=C(\C)C1CCC(=S)N1
InChIInChI=1S/C9H15NS/c1-3-4-7(2)8-5-6-9(11)10-8/h4,8H,3,5-6H2,1-2H3,(H,10,11)/b7-4+
InChIKeySYUCKIKLYPYGCN-QPJJXVBHSA-N
MW169.29 g/mol
LogP2.42
Rot. Bonds2

About 5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione

5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione (PubChem CID 142244113) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione.

Molecular Properties

Compound Name5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione
PubChem CID142244113
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione
SMILESCC/C=C(\C)C1CCC(=S)N1
InChIInChI=1S/C9H15NS/c1-3-4-7(2)8-5-6-9(11)10-8/h4,8H,3,5-6H2,1-2H3,(H,10,11)/b7-4+
InChIKeySYUCKIKLYPYGCN-QPJJXVBHSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine
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10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
CID 20713612
N-[(E)-pent-2-en-2-yl]propan-1-imine
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CID 56985726
(Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine
CID 67319368
(3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione
CID 162882457
[(E)-2-methylpent-2-enyl]cyclohexane
CID 143898911
[(E)-hex-2-en-2-yl]cyclopropane
CID 23063598
4-(2-ethylcyclohexyl)pent-3-en-1-amine
CID 79592240
4-cyclohexylpent-3-en-1-amine
CID 76996947
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CID 171633334

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione?
The IUPAC name of 5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione (CID 142244113) is 5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione.
What is the SMILES notation for 5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione?
The canonical SMILES for 5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione is CC/C=C(\C)C1CCC(=S)N1.
What is the InChIKey of 5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione?
The InChIKey is SYUCKIKLYPYGCN-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-4-7(2)8-5-6-9(11)10-8/h4,8H,3,5-6H2,1-2H3,(H,10,11)/b7-4+.
What are the key properties of 5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione?
5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione has a molecular weight of 169.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione is sourced from PubChem (CID 142244113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).