4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide

C10H12BrN3O2 — CID 103954038

IUPAC4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C10H12BrN3O2/c1-14-5-6(11)2-8(14)10(16)13-7-3-9(15)12-4-7/h2,5,7H,3-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyCBSLOSOQAQNMOG-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.41
Rot. Bonds2

About 4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide (PubChem CID 103954038) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
PubChem CID103954038
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C10H12BrN3O2/c1-14-5-6(11)2-8(14)10(16)13-7-3-9(15)12-4-7/h2,5,7H,3-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyCBSLOSOQAQNMOG-UHFFFAOYSA-N
XLogP0.41
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 106179845
4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379331
4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide
CID 104578412
4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
CID 61244506
4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 79036256
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966
4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 60956390
ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 60932820
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 114157018
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495
4-bromo-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 55249969

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide (CID 103954038) is 4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide?
The InChIKey is CBSLOSOQAQNMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-14-5-6(11)2-8(14)10(16)13-7-3-9(15)12-4-7/h2,5,7H,3-4H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide has a molecular weight of 286.13 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 103954038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).