(3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine

C13H15NS — CID 101038677

IUPAC(3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine
SMILESCS/C=C1\CNC\C1=C\c1ccccc1
InChIInChI=1S/C13H15NS/c1-15-10-13-9-14-8-12(13)7-11-5-3-2-4-6-11/h2-7,10,14H,8-9H2,1H3/b12-7-,13-10+
InChIKeyPBBMRYOJKDTHJP-WYHWPVCHSA-N
MW217.34 g/mol
LogP2.92
Rot. Bonds2

About (3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine

(3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine (PubChem CID 101038677) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is (3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine.

Molecular Properties

Compound Name(3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine
PubChem CID101038677
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name(3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine
SMILESCS/C=C1\CNC\C1=C\c1ccccc1
InChIInChI=1S/C13H15NS/c1-15-10-13-9-14-8-12(13)7-11-5-3-2-4-6-11/h2-7,10,14H,8-9H2,1H3/b12-7-,13-10+
InChIKeyPBBMRYOJKDTHJP-WYHWPVCHSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z,5Z)-3,5-dibenzylidenepiperidine
CID 5474874
(3Z,5E)-3,5-dibenzylidenepiperidine
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[(E)-[(2E)-2-benzylidenecyclohexylidene]methyl]-trimethylsilane
CID 10539037
(6Z)-6-benzylidene-2-methylsulfanyl-4H-1,3,4-thiadiazin-5-one
CID 15306310
(6E)-6-benzylidene-2-methylsulfanyl-4H-1,3,4-thiadiazin-5-one
CID 5471191
8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one
CID 57368519
2-benzylidenecyclobutan-1-one
CID 73042587
[(E)-[(2E)-2-[(2E)-2-benzylidenecyclopentylidene]cyclopentylidene]methyl]benzene
CID 102353604
(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
CID 6374106
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
(4Z)-4-benzylidene-5,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135580499
(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946324

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine?
The IUPAC name of (3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine (CID 101038677) is (3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine.
What is the SMILES notation for (3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine?
The canonical SMILES for (3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine is CS/C=C1\CNC\C1=C\c1ccccc1.
What is the InChIKey of (3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine?
The InChIKey is PBBMRYOJKDTHJP-WYHWPVCHSA-N. The full InChI is InChI=1S/C13H15NS/c1-15-10-13-9-14-8-12(13)7-11-5-3-2-4-6-11/h2-7,10,14H,8-9H2,1H3/b12-7-,13-10+.
What are the key properties of (3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine?
(3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine has a molecular weight of 217.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine is sourced from PubChem (CID 101038677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).