1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine

C12H15NS — CID 143305201

IUPAC1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine
SMILESCC#Cc1ccc(CN2CCCC2)s1
InChIInChI=1S/C12H15NS/c1-2-5-11-6-7-12(14-11)10-13-8-3-4-9-13/h6-7H,3-4,8-10H2,1H3
InChIKeyKSQJGOPOOZBDGH-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.72
Rot. Bonds2

About 1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine

1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine (PubChem CID 143305201) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine
PubChem CID143305201
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine
SMILESCC#Cc1ccc(CN2CCCC2)s1
InChIInChI=1S/C12H15NS/c1-2-5-11-6-7-12(14-11)10-13-8-3-4-9-13/h6-7H,3-4,8-10H2,1H3
InChIKeyKSQJGOPOOZBDGH-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine (CID 143305201) is 1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine is CC#Cc1ccc(CN2CCCC2)s1.
What is the InChIKey of 1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine?
The InChIKey is KSQJGOPOOZBDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-2-5-11-6-7-12(14-11)10-13-8-3-4-9-13/h6-7H,3-4,8-10H2,1H3.
What are the key properties of 1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine?
1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine has a molecular weight of 205.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 143305201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).