1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

C17H26N2OS — CID 95758507

IUPAC1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCc1cccs1
InChIInChI=1S/C17H26N2OS/c1-2-17(20)19-11-4-8-16(19)15-7-3-10-18(15)12-9-14-6-5-13-21-14/h5-6,13,15-16H,2-4,7-12H2,1H3/t15-,16-/m1/s1
InChIKeyXAXNDIMJIMNTIS-HZPDHXFCSA-N
MW306.47 g/mol
LogP3.16
Rot. Bonds5

About 1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95758507) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID95758507
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCc1cccs1
InChIInChI=1S/C17H26N2OS/c1-2-17(20)19-11-4-8-16(19)15-7-3-10-18(15)12-9-14-6-5-13-21-14/h5-6,13,15-16H,2-4,7-12H2,1H3/t15-,16-/m1/s1
InChIKeyXAXNDIMJIMNTIS-HZPDHXFCSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 95758507) is 1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCc1cccs1.
What is the InChIKey of 1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is XAXNDIMJIMNTIS-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-17(20)19-11-4-8-16(19)15-7-3-10-18(15)12-9-14-6-5-13-21-14/h5-6,13,15-16H,2-4,7-12H2,1H3/t15-,16-/m1/s1.
What are the key properties of 1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 306.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95758507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).