4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide

C10H13BrN2O2 — CID 93318154

IUPAC4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@@H]1CCOC1)c1cc(Br)c[nH]1
InChIInChI=1S/C10H13BrN2O2/c11-8-3-9(12-5-8)10(14)13-4-7-1-2-15-6-7/h3,5,7,12H,1-2,4,6H2,(H,13,14)/t7-/m0/s1
InChIKeyREXCHUFASCQMBE-ZETCQYMHSA-N
MW273.13 g/mol
LogP1.54
Rot. Bonds3

About 4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 93318154) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID93318154
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@@H]1CCOC1)c1cc(Br)c[nH]1
InChIInChI=1S/C10H13BrN2O2/c11-8-3-9(12-5-8)10(14)13-4-7-1-2-15-6-7/h3,5,7,12H,1-2,4,6H2,(H,13,14)/t7-/m0/s1
InChIKeyREXCHUFASCQMBE-ZETCQYMHSA-N
XLogP1.54
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 107413497
N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386323
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 47116194
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879932
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 103800559
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
5-hydroxy-N-(oxolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 167963637
4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 54932144
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 115600313

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide (CID 93318154) is 4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide is O=C(NC[C@@H]1CCOC1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is REXCHUFASCQMBE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-8-3-9(12-5-8)10(14)13-4-7-1-2-15-6-7/h3,5,7,12H,1-2,4,6H2,(H,13,14)/t7-/m0/s1.
What are the key properties of 4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 273.13 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 93318154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).