(2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine

C9H13NS — CID 142054803

IUPAC(2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine
SMILESC=C1NCCS/C1=C/C=C\C
InChIInChI=1S/C9H13NS/c1-3-4-5-9-8(2)10-6-7-11-9/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5+
InChIKeyGGDICBIQPLKUAR-XBURUKCPSA-N
MW167.28 g/mol
LogP2.30
Rot. Bonds1

About (2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine

(2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine (PubChem CID 142054803) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine
PubChem CID142054803
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine
SMILESC=C1NCCS/C1=C/C=C\C
InChIInChI=1S/C9H13NS/c1-3-4-5-9-8(2)10-6-7-11-9/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5+
InChIKeyGGDICBIQPLKUAR-XBURUKCPSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane
CID 143288880
(2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine
CID 167169170
(2E)-2-(hydroxymethylidene)thiomorpholin-3-one
CID 20678244
2-but-2-enylidene-3-methylidene-1,4-dioxane
CID 123458039
(4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one
CID 155313173
(2E)-2-[(Z)-but-2-enylidene]-3-ethenylidenepiperidine
CID 176520993
2-pentylidenethiomorpholin-3-one
CID 67763937
(1Z)-1-[(Z)-but-2-enylidene]-2-methylidenecyclopentane;ethane
CID 143072942
2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143498553
4-but-2-enylidene-5-methylidene-1H-triazole
CID 123742148
2-ethylidene-3-prop-2-enylidenethiolane
CID 123580390
λ2-plumbane;1,3-thiazolidin-2-one
CID 173302623

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine (CID 142054803) is (2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine is C=C1NCCS/C1=C/C=C\C.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine?
The InChIKey is GGDICBIQPLKUAR-XBURUKCPSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-4-5-9-8(2)10-6-7-11-9/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine?
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine has a molecular weight of 167.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine is sourced from PubChem (CID 142054803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).