4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile

C15H15N3S — CID 10967557

IUPAC4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)sc(-c2ccccc2)c1N
InChIInChI=1S/C15H15N3S/c16-10-12-13(17)14(11-6-2-1-3-7-11)19-15(12)18-8-4-5-9-18/h1-3,6-7H,4-5,8-9,17H2
InChIKeyFGHQLCFUHRVQHE-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.47
Rot. Bonds2

About 4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile

4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile (PubChem CID 10967557) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile
PubChem CID10967557
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)sc(-c2ccccc2)c1N
InChIInChI=1S/C15H15N3S/c16-10-12-13(17)14(11-6-2-1-3-7-11)19-15(12)18-8-4-5-9-18/h1-3,6-7H,4-5,8-9,17H2
InChIKeyFGHQLCFUHRVQHE-UHFFFAOYSA-N
XLogP3.47
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile (CID 10967557) is 4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile is N#Cc1c(N2CCCC2)sc(-c2ccccc2)c1N.
What is the InChIKey of 4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile?
The InChIKey is FGHQLCFUHRVQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-10-12-13(17)14(11-6-2-1-3-7-11)19-15(12)18-8-4-5-9-18/h1-3,6-7H,4-5,8-9,17H2.
What are the key properties of 4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile?
4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile has a molecular weight of 269.37 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile is sourced from PubChem (CID 10967557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).