4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide

C10H12BrN3O2 — CID 47478452

IUPAC4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCCNC1=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H12BrN3O2/c11-6-4-8(13-5-6)10(16)14-7-2-1-3-12-9(7)15/h4-5,7,13H,1-3H2,(H,12,15)(H,14,16)
InChIKeyDUUYBQFYEVXBRM-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.79
Rot. Bonds2

About 4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide

4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide (PubChem CID 47478452) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
PubChem CID47478452
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCCNC1=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H12BrN3O2/c11-6-4-8(13-5-6)10(16)14-7-2-1-3-12-9(7)15/h4-5,7,13H,1-3H2,(H,12,15)(H,14,16)
InChIKeyDUUYBQFYEVXBRM-UHFFFAOYSA-N
XLogP0.79
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide (CID 47478452) is 4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide is O=C(NC1CCCNC1=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is DUUYBQFYEVXBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c11-6-4-8(13-5-6)10(16)14-7-2-1-3-12-9(7)15/h4-5,7,13H,1-3H2,(H,12,15)(H,14,16).
What are the key properties of 4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 286.13 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47478452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).