4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide

C11H15BrN2O — CID 103737365

IUPAC4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1(CNC(=O)c2cc(Br)c[nH]2)CCC1
InChIInChI=1S/C11H15BrN2O/c1-11(3-2-4-11)7-14-10(15)9-5-8(12)6-13-9/h5-6,13H,2-4,7H2,1H3,(H,14,15)
InChIKeyYLSWDWDUHPXGGP-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.70
Rot. Bonds3

About 4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 103737365) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID103737365
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1(CNC(=O)c2cc(Br)c[nH]2)CCC1
InChIInChI=1S/C11H15BrN2O/c1-11(3-2-4-11)7-14-10(15)9-5-8(12)6-13-9/h5-6,13H,2-4,7H2,1H3,(H,14,15)
InChIKeyYLSWDWDUHPXGGP-UHFFFAOYSA-N
XLogP2.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 114751196
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 65124237
4-bromo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 36557381
4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935
4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43601766
5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide
CID 103737497
N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 63887592
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
CID 114372364
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 103800559
4-bromo-1-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 103737464
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 83120766
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide (CID 103737365) is 4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide is CC1(CNC(=O)c2cc(Br)c[nH]2)CCC1.
What is the InChIKey of 4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is YLSWDWDUHPXGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-11(3-2-4-11)7-14-10(15)9-5-8(12)6-13-9/h5-6,13H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103737365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).