3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine

C10H17NS — CID 143498347

IUPAC3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine
SMILESC=C(S/C=C\C)N1CCC(C)C1
InChIInChI=1S/C10H17NS/c1-4-7-12-10(3)11-6-5-9(2)8-11/h4,7,9H,3,5-6,8H2,1-2H3/b7-4-
InChIKeySRXBUVLVXAMMLY-DAXSKMNVSA-N
MW183.32 g/mol
LogP3.07
Rot. Bonds3

About 3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine

3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine (PubChem CID 143498347) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine
PubChem CID143498347
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine
SMILESC=C(S/C=C\C)N1CCC(C)C1
InChIInChI=1S/C10H17NS/c1-4-7-12-10(3)11-6-5-9(2)8-11/h4,7,9H,3,5-6,8H2,1-2H3/b7-4-
InChIKeySRXBUVLVXAMMLY-DAXSKMNVSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-methyl-4-pyrrolidin-1-ylbut-3-ene-1-thiol
CID 57431048
2-Methyl-4-pyrrolidin-1-ylbut-3-ene-1-thiol
CID 76538839
3-methyl-1-[(3Z)-4-methylsulfanylbuta-1,3-dien-2-yl]pyrrolidine;propane
CID 143498455
But-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine
CID 143574322
3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine
CID 144748198
(3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine
CID 163477615
3-(Methylsulfanylmethyl)-1-prop-2-enylpyrrolidine
CID 131224489
3-methyl-1-[(3Z)-4-methylsulfanylbuta-1,3-dien-2-yl]pyrrolidine
CID 143498456
3-Methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine
CID 143862215

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine?
The IUPAC name of 3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine (CID 143498347) is 3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine.
What is the SMILES notation for 3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine?
The canonical SMILES for 3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine is C=C(S/C=C\C)N1CCC(C)C1.
What is the InChIKey of 3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine?
The InChIKey is SRXBUVLVXAMMLY-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-7-12-10(3)11-6-5-9(2)8-11/h4,7,9H,3,5-6,8H2,1-2H3/b7-4-.
What are the key properties of 3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine?
3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine has a molecular weight of 183.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine is sourced from PubChem (CID 143498347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).