4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide

C11H15BrN2O2 — CID 43411131

IUPAC4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCC1CCCO1
InChIInChI=1S/C11H15BrN2O2/c1-14-7-8(12)5-10(14)11(15)13-6-9-3-2-4-16-9/h5,7,9H,2-4,6H2,1H3,(H,13,15)
InChIKeyQVOJJAKDMHUAHM-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.70
Rot. Bonds3

About 4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 43411131) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID43411131
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCC1CCCO1
InChIInChI=1S/C11H15BrN2O2/c1-14-7-8(12)5-10(14)11(15)13-6-9-3-2-4-16-9/h5,7,9H,2-4,6H2,1H3,(H,13,15)
InChIKeyQVOJJAKDMHUAHM-UHFFFAOYSA-N
XLogP1.70
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide (CID 43411131) is 4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NCC1CCCO1.
What is the InChIKey of 4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is QVOJJAKDMHUAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-14-7-8(12)5-10(14)11(15)13-6-9-3-2-4-16-9/h5,7,9H,2-4,6H2,1H3,(H,13,15).
What are the key properties of 4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(oxolan-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43411131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).