2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride

C10H11BrClNO — CID 115051098

IUPAC2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride
SMILESCl.O=C1CCNC1c1ccccc1Br
InChIInChI=1S/C10H10BrNO.ClH/c11-8-4-2-1-3-7(8)10-9(13)5-6-12-10;/h1-4,10,12H,5-6H2;1H
InChIKeyRFAKGXVYVDDOKP-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.47
Rot. Bonds1

About 2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride

2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride (PubChem CID 115051098) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride
PubChem CID115051098
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride
SMILESCl.O=C1CCNC1c1ccccc1Br
InChIInChI=1S/C10H10BrNO.ClH/c11-8-4-2-1-3-7(8)10-9(13)5-6-12-10;/h1-4,10,12H,5-6H2;1H
InChIKeyRFAKGXVYVDDOKP-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride?
The IUPAC name of 2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride (CID 115051098) is 2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride.
What is the SMILES notation for 2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride?
The canonical SMILES for 2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride is Cl.O=C1CCNC1c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride?
The InChIKey is RFAKGXVYVDDOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO.ClH/c11-8-4-2-1-3-7(8)10-9(13)5-6-12-10;/h1-4,10,12H,5-6H2;1H.
What are the key properties of 2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride?
2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride has a molecular weight of 276.56 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 115051098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).