(Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione

C8H13NS — CID 45118426

IUPAC(Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione
SMILESC/C=C\C(=S)N1CCCC1
InChIInChI=1S/C8H13NS/c1-2-5-8(10)9-6-3-4-7-9/h2,5H,3-4,6-7H2,1H3/b5-2-
InChIKeyCYVOVVJOHDPIAD-DJWKRKHSSA-N
MW155.27 g/mol
LogP1.99
Rot. Bonds1

About (Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione

(Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione (PubChem CID 45118426) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione.

Molecular Properties

Compound Name(Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione
PubChem CID45118426
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione
SMILESC/C=C\C(=S)N1CCCC1
InChIInChI=1S/C8H13NS/c1-2-5-8(10)9-6-3-4-7-9/h2,5H,3-4,6-7H2,1H3/b5-2-
InChIKeyCYVOVVJOHDPIAD-DJWKRKHSSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione?
The IUPAC name of (Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione (CID 45118426) is (Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione.
What is the SMILES notation for (Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione?
The canonical SMILES for (Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione is C/C=C\C(=S)N1CCCC1.
What is the InChIKey of (Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione?
The InChIKey is CYVOVVJOHDPIAD-DJWKRKHSSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-5-8(10)9-6-3-4-7-9/h2,5H,3-4,6-7H2,1H3/b5-2-.
What are the key properties of (Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione?
(Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione has a molecular weight of 155.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione is sourced from PubChem (CID 45118426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).