bromozinc(1+);1-propylpyrrole

C7H10BrNZn — CID 133144627

IUPACbromozinc(1+);1-propylpyrrole
SMILES[CH2-]CCn1cccc1.[Zn+]Br
InChIInChI=1S/C7H10N.BrH.Zn/c1-2-5-8-6-3-4-7-8;;/h3-4,6-7H,1-2,5H2;1H;/q-1;;+2/p-1
InChIKeyYHGMGEIEPYGSCF-UHFFFAOYSA-M
MW253.46 g/mol
LogP2.56
Rot. Bonds2

About bromozinc(1+);1-propylpyrrole

bromozinc(1+);1-propylpyrrole (PubChem CID 133144627) has the molecular formula C7H10BrNZn and a molecular weight of 253.46 g/mol. Its IUPAC name is bromozinc(1+);1-propylpyrrole.

Molecular Properties

Compound Namebromozinc(1+);1-propylpyrrole
PubChem CID133144627
Molecular FormulaC7H10BrNZn
Molecular Weight253.46 g/mol
Exact Mass250.93
IUPAC Namebromozinc(1+);1-propylpyrrole
SMILES[CH2-]CCn1cccc1.[Zn+]Br
InChIInChI=1S/C7H10N.BrH.Zn/c1-2-5-8-6-3-4-7-8;;/h3-4,6-7H,1-2,5H2;1H;/q-1;;+2/p-1
InChIKeyYHGMGEIEPYGSCF-UHFFFAOYSA-M
XLogP2.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Pyrrole
CID 8027
1-Methylpyrrole
CID 7304
1-Ethylpyrrole
CID 185226
1-(2-Hydroxyethyl)pyrrole
CID 10975438
3-(Pyrrol-1-yl)propiononitrile
CID 96527
1-Aminopyrrole
CID 136589
N-Triisopropylsilylpyrrole
CID 145136
1-(prop-2-en-1-yl)-1H-pyrrole
CID 527525
1-(3-Bromopropyl)pyrrole
CID 557119
N-(3-Trimethoxysilylpropyl)pyrrole
CID 15001040
1-Butylpyrrole
CID 68529
1H-Pyrrole, 1-(trimethylsilyl)-
CID 87541

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-propylpyrrole?
The IUPAC name of bromozinc(1+);1-propylpyrrole (CID 133144627) is bromozinc(1+);1-propylpyrrole.
What is the SMILES notation for bromozinc(1+);1-propylpyrrole?
The canonical SMILES for bromozinc(1+);1-propylpyrrole is [CH2-]CCn1cccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-propylpyrrole?
The InChIKey is YHGMGEIEPYGSCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N.BrH.Zn/c1-2-5-8-6-3-4-7-8;;/h3-4,6-7H,1-2,5H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-propylpyrrole?
bromozinc(1+);1-propylpyrrole has a molecular weight of 253.46 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-propylpyrrole is sourced from PubChem (CID 133144627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).