4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide

C11H14BrN3O — CID 55026442

IUPAC4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H14BrN3O/c1-8(2)15(5-3-4-13)11(16)10-6-9(12)7-14-10/h6-8,14H,3,5H2,1-2H3
InChIKeyXSSBRBWBWCYWPU-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.54
Rot. Bonds4

About 4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide

4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide (PubChem CID 55026442) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide
PubChem CID55026442
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H14BrN3O/c1-8(2)15(5-3-4-13)11(16)10-6-9(12)7-14-10/h6-8,14H,3,5H2,1-2H3
InChIKeyXSSBRBWBWCYWPU-UHFFFAOYSA-N
XLogP2.54
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide (CID 55026442) is 4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide is CC(C)N(CCC#N)C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide?
The InChIKey is XSSBRBWBWCYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-8(2)15(5-3-4-13)11(16)10-6-9(12)7-14-10/h6-8,14H,3,5H2,1-2H3.
What are the key properties of 4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide?
4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55026442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).