1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine

C14H25NS — CID 146324095

IUPAC1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine
SMILESCSC(C)(C)/C=C/C1CCCN1CC1CC1
InChIInChI=1S/C14H25NS/c1-14(2,16-3)9-8-13-5-4-10-15(13)11-12-6-7-12/h8-9,12-13H,4-7,10-11H2,1-3H3/b9-8+
InChIKeyYRIBNPZPOWSPJE-CMDGGOBGSA-N
MW239.43 g/mol
LogP3.56
Rot. Bonds5

About 1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine

1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine (PubChem CID 146324095) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine
PubChem CID146324095
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine
SMILESCSC(C)(C)/C=C/C1CCCN1CC1CC1
InChIInChI=1S/C14H25NS/c1-14(2,16-3)9-8-13-5-4-10-15(13)11-12-6-7-12/h8-9,12-13H,4-7,10-11H2,1-3H3/b9-8+
InChIKeyYRIBNPZPOWSPJE-CMDGGOBGSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine?
The IUPAC name of 1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine (CID 146324095) is 1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine is CSC(C)(C)/C=C/C1CCCN1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine?
The InChIKey is YRIBNPZPOWSPJE-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H25NS/c1-14(2,16-3)9-8-13-5-4-10-15(13)11-12-6-7-12/h8-9,12-13H,4-7,10-11H2,1-3H3/b9-8+.
What are the key properties of 1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine?
1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine has a molecular weight of 239.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine is sourced from PubChem (CID 146324095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).