3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole

C9H14BrN — CID 82492982

IUPAC3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole
SMILESCc1cc(Br)c(C)n1C(C)C
InChIInChI=1S/C9H14BrN/c1-6(2)11-7(3)5-9(10)8(11)4/h5-6H,1-4H3
InChIKeyCQWKZJCYADOJDQ-UHFFFAOYSA-N
MW216.12 g/mol
LogP3.45
Rot. Bonds1

About 3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole

3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole (PubChem CID 82492982) has the molecular formula C9H14BrN and a molecular weight of 216.12 g/mol. Its IUPAC name is 3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole.

Molecular Properties

Compound Name3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole
PubChem CID82492982
Molecular FormulaC9H14BrN
Molecular Weight216.12 g/mol
Exact Mass215.03
IUPAC Name3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole
SMILESCc1cc(Br)c(C)n1C(C)C
InChIInChI=1S/C9H14BrN/c1-6(2)11-7(3)5-9(10)8(11)4/h5-6H,1-4H3
InChIKeyCQWKZJCYADOJDQ-UHFFFAOYSA-N
XLogP3.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine
CID 96670380
7-bromo-2-methyl-1-propan-2-ylindole
CID 68911786
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine
CID 82491282
3-bromo-6-methyl-1,4-di(propan-2-yl)pyridin-2-one
CID 165398487
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 9095989
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2,2,2-trifluoroethanone
CID 82495978
ethyl 5-bromo-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylate;ethyl 6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylate
CID 162207735
4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine
CID 82494191
3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid
CID 82499365
2-(3,5-dimethylanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654067
2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine
CID 112516291
(2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
CID 119369450

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole?
The IUPAC name of 3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole (CID 82492982) is 3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole.
What is the SMILES notation for 3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole?
The canonical SMILES for 3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole is Cc1cc(Br)c(C)n1C(C)C.
What is the InChIKey of 3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole?
The InChIKey is CQWKZJCYADOJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN/c1-6(2)11-7(3)5-9(10)8(11)4/h5-6H,1-4H3.
What are the key properties of 3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole?
3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole has a molecular weight of 216.12 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dimethyl-1-propan-2-ylpyrrole is sourced from PubChem (CID 82492982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).