(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C16H19N3OS — CID 61110583

IUPAC(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCC2c2ccsc2)n(C2CC2)c1
InChIInChI=1S/C16H19N3OS/c17-12-8-15(19(9-12)13-3-4-13)16(20)18-6-1-2-14(18)11-5-7-21-10-11/h5,7-10,13-14H,1-4,6,17H2
InChIKeyJHJVFSIFDJELPL-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.44
Rot. Bonds3

About (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 61110583) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID61110583
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCC2c2ccsc2)n(C2CC2)c1
InChIInChI=1S/C16H19N3OS/c17-12-8-15(19(9-12)13-3-4-13)16(20)18-6-1-2-14(18)11-5-7-21-10-11/h5,7-10,13-14H,1-4,6,17H2
InChIKeyJHJVFSIFDJELPL-UHFFFAOYSA-N
XLogP3.44
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 61110583) is (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is Nc1cc(C(=O)N2CCCC2c2ccsc2)n(C2CC2)c1.
What is the InChIKey of (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is JHJVFSIFDJELPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-12-8-15(19(9-12)13-3-4-13)16(20)18-6-1-2-14(18)11-5-7-21-10-11/h5,7-10,13-14H,1-4,6,17H2.
What are the key properties of (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 301.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61110583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).