1-(2-methylprop-2-enyl)pyrrolidine-2-thione

C8H13NS — CID 45118419

IUPAC1-(2-methylprop-2-enyl)pyrrolidine-2-thione
SMILESC=C(C)CN1CCCC1=S
InChIInChI=1S/C8H13NS/c1-7(2)6-9-5-3-4-8(9)10/h1,3-6H2,2H3
InChIKeyCIRSOOUHYONPFJ-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.99
Rot. Bonds2

About 1-(2-methylprop-2-enyl)pyrrolidine-2-thione

1-(2-methylprop-2-enyl)pyrrolidine-2-thione (PubChem CID 45118419) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)pyrrolidine-2-thione.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)pyrrolidine-2-thione
PubChem CID45118419
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-(2-methylprop-2-enyl)pyrrolidine-2-thione
SMILESC=C(C)CN1CCCC1=S
InChIInChI=1S/C8H13NS/c1-7(2)6-9-5-3-4-8(9)10/h1,3-6H2,2H3
InChIKeyCIRSOOUHYONPFJ-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)pyrrolidine-2-thione?
The IUPAC name of 1-(2-methylprop-2-enyl)pyrrolidine-2-thione (CID 45118419) is 1-(2-methylprop-2-enyl)pyrrolidine-2-thione.
What is the SMILES notation for 1-(2-methylprop-2-enyl)pyrrolidine-2-thione?
The canonical SMILES for 1-(2-methylprop-2-enyl)pyrrolidine-2-thione is C=C(C)CN1CCCC1=S.
What is the InChIKey of 1-(2-methylprop-2-enyl)pyrrolidine-2-thione?
The InChIKey is CIRSOOUHYONPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7(2)6-9-5-3-4-8(9)10/h1,3-6H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)pyrrolidine-2-thione?
1-(2-methylprop-2-enyl)pyrrolidine-2-thione has a molecular weight of 155.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)pyrrolidine-2-thione is sourced from PubChem (CID 45118419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).