(3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone

C14H17BrN2OS — CID 83282043

IUPAC(3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCCCn1c(C(=O)N2CCCC2)cc2scc(Br)c21
InChIInChI=1S/C14H17BrN2OS/c1-2-5-17-11(14(18)16-6-3-4-7-16)8-12-13(17)10(15)9-19-12/h8-9H,2-7H2,1H3
InChIKeyISVLEJKSUMIIOJ-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.11
Rot. Bonds3

About (3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone

(3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 83282043) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is (3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID83282043
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name(3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCCCn1c(C(=O)N2CCCC2)cc2scc(Br)c21
InChIInChI=1S/C14H17BrN2OS/c1-2-5-17-11(14(18)16-6-3-4-7-16)8-12-13(17)10(15)9-19-12/h8-9H,2-7H2,1H3
InChIKeyISVLEJKSUMIIOJ-UHFFFAOYSA-N
XLogP4.11
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone (CID 83282043) is (3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone is CCCn1c(C(=O)N2CCCC2)cc2scc(Br)c21.
What is the InChIKey of (3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is ISVLEJKSUMIIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-2-5-17-11(14(18)16-6-3-4-7-16)8-12-13(17)10(15)9-19-12/h8-9H,2-7H2,1H3.
What are the key properties of (3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone?
(3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 341.27 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 83282043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).