1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine

C10H14N2S — CID 61474549

IUPAC1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCc1ccsc1
InChIInChI=1S/C10H14N2S/c11-10-2-1-5-12(10)6-3-9-4-7-13-8-9/h4,7-8,11H,1-3,5-6H2/b11-10+
InChIKeyNWPYTKZWZHKXAG-ZHACJKMWSA-N
MW194.30 g/mol
LogP2.36
Rot. Bonds3

About 1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine

1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine (PubChem CID 61474549) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine
PubChem CID61474549
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCc1ccsc1
InChIInChI=1S/C10H14N2S/c11-10-2-1-5-12(10)6-3-9-4-7-13-8-9/h4,7-8,11H,1-3,5-6H2/b11-10+
InChIKeyNWPYTKZWZHKXAG-ZHACJKMWSA-N
XLogP2.36
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine (CID 61474549) is 1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CCc1ccsc1.
What is the InChIKey of 1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine?
The InChIKey is NWPYTKZWZHKXAG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H14N2S/c11-10-2-1-5-12(10)6-3-9-4-7-13-8-9/h4,7-8,11H,1-3,5-6H2/b11-10+.
What are the key properties of 1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine?
1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine has a molecular weight of 194.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine is sourced from PubChem (CID 61474549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).