N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide

C8H11BrN2O — CID 130831733

IUPACN-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc(Br)c[nH]1
InChIInChI=1S/C8H11BrN2O/c1-2-8(12)11-5-7-3-6(9)4-10-7/h3-4,10H,2,5H2,1H3,(H,11,12)
InChIKeyUJWOFORFEKIGLP-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.80
Rot. Bonds3

About N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide

N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide (PubChem CID 130831733) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide
PubChem CID130831733
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC NameN-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc(Br)c[nH]1
InChIInChI=1S/C8H11BrN2O/c1-2-8(12)11-5-7-3-6(9)4-10-7/h3-4,10H,2,5H2,1H3,(H,11,12)
InChIKeyUJWOFORFEKIGLP-UHFFFAOYSA-N
XLogP1.80
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-1H-pyrrol-2-yl)methyl]-2-chloroacetamide
CID 130614550
N-[(4-bromo-1H-pyrrol-2-yl)methyl]ethanamine
CID 81470828
2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride
CID 130660319
4-[(propanoylamino)methyl]-1H-pyrrole-2-carboxylic acid
CID 84666749
N-[(4-bromo-1H-pyrrol-2-yl)methyl]butan-2-amine
CID 81471205
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 142300586
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 110783031
N-[[3-[(butanoylamino)methyl]-5-[(propanoylamino)methyl]phenyl]methyl]butanamide;ethane
CID 177147488

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide?
The IUPAC name of N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide (CID 130831733) is N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide?
The canonical SMILES for N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide is CCC(=O)NCc1cc(Br)c[nH]1.
What is the InChIKey of N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide?
The InChIKey is UJWOFORFEKIGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-2-8(12)11-5-7-3-6(9)4-10-7/h3-4,10H,2,5H2,1H3,(H,11,12).
What are the key properties of N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide?
N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide has a molecular weight of 231.09 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide is sourced from PubChem (CID 130831733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).