3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole

C10H15BrN2 — CID 58180048

IUPAC3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole
SMILESBrc1ccn(CCN2CCCC2)c1
InChIInChI=1S/C10H15BrN2/c11-10-3-6-13(9-10)8-7-12-4-1-2-5-12/h3,6,9H,1-2,4-5,7-8H2
InChIKeyRCCLWRMDBSYFJQ-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.35
Rot. Bonds3

About 3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole

3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole (PubChem CID 58180048) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole.

Molecular Properties

Compound Name3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole
PubChem CID58180048
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole
SMILESBrc1ccn(CCN2CCCC2)c1
InChIInChI=1S/C10H15BrN2/c11-10-3-6-13(9-10)8-7-12-4-1-2-5-12/h3,6,9H,1-2,4-5,7-8H2
InChIKeyRCCLWRMDBSYFJQ-UHFFFAOYSA-N
XLogP2.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole?
The IUPAC name of 3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole (CID 58180048) is 3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole.
What is the SMILES notation for 3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole?
The canonical SMILES for 3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole is Brc1ccn(CCN2CCCC2)c1.
What is the InChIKey of 3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole?
The InChIKey is RCCLWRMDBSYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c11-10-3-6-13(9-10)8-7-12-4-1-2-5-12/h3,6,9H,1-2,4-5,7-8H2.
What are the key properties of 3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole?
3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole has a molecular weight of 243.15 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-pyrrolidin-1-ylethyl)pyrrole is sourced from PubChem (CID 58180048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).