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

C10H13BrN2O2 — CID 115769201

IUPAC4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide
SMILESCC1(NC(=O)c2cc(Br)c[nH]2)CCOC1
InChIInChI=1S/C10H13BrN2O2/c1-10(2-3-15-6-10)13-9(14)8-4-7(11)5-12-8/h4-5,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyGBFYYPHGOVJYLS-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.69
Rot. Bonds2

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

4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide (PubChem CID 115769201) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide
PubChem CID115769201
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide
SMILESCC1(NC(=O)c2cc(Br)c[nH]2)CCOC1
InChIInChI=1S/C10H13BrN2O2/c1-10(2-3-15-6-10)13-9(14)8-4-7(11)5-12-8/h4-5,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyGBFYYPHGOVJYLS-UHFFFAOYSA-N
XLogP1.69
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 103909392
5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 115769193
2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 114372910
N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 63887592
4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide
CID 103737365
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1H-pyrrole-2-carboxamide
CID 62525276
4-bromo-N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 115769176
3-amino-5-bromo-N-(3-methyloxan-3-yl)benzamide
CID 114113463
2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671811
4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide
CID 146125241
4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide
CID 113343145
1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294681

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide (CID 115769201) is 4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide is CC1(NC(=O)c2cc(Br)c[nH]2)CCOC1.
What is the InChIKey of 4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is GBFYYPHGOVJYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-10(2-3-15-6-10)13-9(14)8-4-7(11)5-12-8/h4-5,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 273.13 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115769201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).