2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole

C9H12BrN — CID 130382140

IUPAC2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole
SMILESCc1ccc(Br)n1CC1CC1
InChIInChI=1S/C9H12BrN/c1-7-2-5-9(10)11(7)6-8-3-4-8/h2,5,8H,3-4,6H2,1H3
InChIKeyWPMRKUXTGRORCG-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.97
Rot. Bonds2

About 2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole

2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole (PubChem CID 130382140) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole.

Molecular Properties

Compound Name2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole
PubChem CID130382140
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole
SMILESCc1ccc(Br)n1CC1CC1
InChIInChI=1S/C9H12BrN/c1-7-2-5-9(10)11(7)6-8-3-4-8/h2,5,8H,3-4,6H2,1H3
InChIKeyWPMRKUXTGRORCG-UHFFFAOYSA-N
XLogP2.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole?
The IUPAC name of 2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole (CID 130382140) is 2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole.
What is the SMILES notation for 2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole?
The canonical SMILES for 2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole is Cc1ccc(Br)n1CC1CC1.
What is the InChIKey of 2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole?
The InChIKey is WPMRKUXTGRORCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-7-2-5-9(10)11(7)6-8-3-4-8/h2,5,8H,3-4,6H2,1H3.
What are the key properties of 2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole?
2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole has a molecular weight of 214.11 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole is sourced from PubChem (CID 130382140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).