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

1H-pyrrole-2-carboxamide
CID 573553
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-propargyl-1H-pyrrole-2-carboxamide
CID 16110305
6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 638578
(4-Bromo-1H-pyrrol-2-yl)(piperidin-1-yl)methanone
CID 2766365
4-Bromo-1H-pyrrole-2-carboxamide
CID 15346823
N-methyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 11008237
(R)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxamide
CID 16110298
N-[(1R)-1-cyclohexylethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 16110299
(S)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxamide
CID 16110303
N-[(1S)-1-cyclohexylethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 16110304

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).