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

C11H15BrN2O2 — CID 61244501

IUPAC4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H15BrN2O2/c1-14(7-9-3-2-4-16-9)11(15)10-5-8(12)6-13-10/h5-6,9,13H,2-4,7H2,1H3
InChIKeyIZIZYDDIVJDTJQ-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.03
Rot. Bonds3

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

4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 61244501) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID61244501
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H15BrN2O2/c1-14(7-9-3-2-4-16-9)11(15)10-5-8(12)6-13-10/h5-6,9,13H,2-4,7H2,1H3
InChIKeyIZIZYDDIVJDTJQ-UHFFFAOYSA-N
XLogP2.03
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 63274163
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 61217701
3-(4-bromo-2,6-dimethylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51108212
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-cyano-N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 77095173
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 79380607

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 61244501) is 4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is CN(CC1CCCO1)C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IZIZYDDIVJDTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-14(7-9-3-2-4-16-9)11(15)10-5-8(12)6-13-10/h5-6,9,13H,2-4,7H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61244501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).