4-ethylidene-3-prop-2-enylidenepiperidine-2-thione

C10H13NS — CID 123559865

IUPAC4-ethylidene-3-prop-2-enylidenepiperidine-2-thione
SMILESC=CC=C1C(=S)NCCC1=CC
InChIInChI=1S/C10H13NS/c1-3-5-9-8(4-2)6-7-11-10(9)12/h3-5H,1,6-7H2,2H3,(H,11,12)
InChIKeyKUNQWNGOGPIPTN-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.37
Rot. Bonds1

About 4-ethylidene-3-prop-2-enylidenepiperidine-2-thione

4-ethylidene-3-prop-2-enylidenepiperidine-2-thione (PubChem CID 123559865) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 4-ethylidene-3-prop-2-enylidenepiperidine-2-thione.

Molecular Properties

Compound Name4-ethylidene-3-prop-2-enylidenepiperidine-2-thione
PubChem CID123559865
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name4-ethylidene-3-prop-2-enylidenepiperidine-2-thione
SMILESC=CC=C1C(=S)NCCC1=CC
InChIInChI=1S/C10H13NS/c1-3-5-9-8(4-2)6-7-11-10(9)12/h3-5H,1,6-7H2,2H3,(H,11,12)
InChIKeyKUNQWNGOGPIPTN-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
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 4-ethylidene-3-prop-2-enylidenepiperidine-2-thione?
The IUPAC name of 4-ethylidene-3-prop-2-enylidenepiperidine-2-thione (CID 123559865) is 4-ethylidene-3-prop-2-enylidenepiperidine-2-thione.
What is the SMILES notation for 4-ethylidene-3-prop-2-enylidenepiperidine-2-thione?
The canonical SMILES for 4-ethylidene-3-prop-2-enylidenepiperidine-2-thione is C=CC=C1C(=S)NCCC1=CC.
What is the InChIKey of 4-ethylidene-3-prop-2-enylidenepiperidine-2-thione?
The InChIKey is KUNQWNGOGPIPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-3-5-9-8(4-2)6-7-11-10(9)12/h3-5H,1,6-7H2,2H3,(H,11,12).
What are the key properties of 4-ethylidene-3-prop-2-enylidenepiperidine-2-thione?
4-ethylidene-3-prop-2-enylidenepiperidine-2-thione has a molecular weight of 179.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-3-prop-2-enylidenepiperidine-2-thione is sourced from PubChem (CID 123559865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).