1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine

C12H17NS — CID 3056240

IUPAC1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine
SMILESC=CCC1(c2cccs2)CCN(C)C1
InChIInChI=1S/C12H17NS/c1-3-6-12(7-8-13(2)10-12)11-5-4-9-14-11/h3-5,9H,1,6-8,10H2,2H3
InChIKeySGTUHYRVXNIIIY-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.90
Rot. Bonds3

About 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine

1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine (PubChem CID 3056240) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine
PubChem CID3056240
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine
SMILESC=CCC1(c2cccs2)CCN(C)C1
InChIInChI=1S/C12H17NS/c1-3-6-12(7-8-13(2)10-12)11-5-4-9-14-11/h3-5,9H,1,6-8,10H2,2H3
InChIKeySGTUHYRVXNIIIY-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.90
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-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine (CID 3056240) is 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine is C=CCC1(c2cccs2)CCN(C)C1.
What is the InChIKey of 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine?
The InChIKey is SGTUHYRVXNIIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-3-6-12(7-8-13(2)10-12)11-5-4-9-14-11/h3-5,9H,1,6-8,10H2,2H3.
What are the key properties of 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine?
1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine has a molecular weight of 207.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 3056240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).