2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine

C8H13NS — CID 123480432

IUPAC2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine
SMILESC=C1CCCN1C(=C)SC
InChIInChI=1S/C8H13NS/c1-7-5-4-6-9(7)8(2)10-3/h1-2,4-6H2,3H3
InChIKeyPVHGEDIUPRCUFJ-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.43
Rot. Bonds2

About 2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine

2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine (PubChem CID 123480432) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine.

Molecular Properties

Compound Name2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine
PubChem CID123480432
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine
SMILESC=C1CCCN1C(=C)SC
InChIInChI=1S/C8H13NS/c1-7-5-4-6-9(7)8(2)10-3/h1-2,4-6H2,3H3
InChIKeyPVHGEDIUPRCUFJ-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-4-methyl-2H-1,3-thiazole
CID 91246770
1-(3,4-Dihydro-2H-thiopyran-5-yl)pyrrolidine
CID 12910988
1-Ethyl-3-methyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine
CID 20723074
2-Methylidene-1-propylpyrrolidine
CID 58479026
1-Methyl-2-methylidene-4-methylsulfanylpyrrolidine
CID 58709431
1,3-Dimethyl-3-(methyldisulfanyl)-2,5-dimethylidenepyrrolidine
CID 59916938
2,5-Dimethylidene-1-propan-2-ylpyrrolidine-3-thiol
CID 130291572
1-Methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine
CID 130293284
3-Oct-1-en-2-yl-1,3-thiazolidine
CID 135303707
3-Ethylsulfanyl-1-methyl-2,5-dimethylidenepyrrolidine
CID 137505121
2,5-Dimethylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine
CID 138475647
5-Ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine
CID 139326385

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine?
The IUPAC name of 2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine (CID 123480432) is 2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine.
What is the SMILES notation for 2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine?
The canonical SMILES for 2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine is C=C1CCCN1C(=C)SC.
What is the InChIKey of 2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine?
The InChIKey is PVHGEDIUPRCUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7-5-4-6-9(7)8(2)10-3/h1-2,4-6H2,3H3.
What are the key properties of 2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine?
2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine has a molecular weight of 155.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-(1-methylsulfanylethenyl)pyrrolidine is sourced from PubChem (CID 123480432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).