2,3-dichloro-1-methyl-5-propan-2-ylpyrrole

C8H11Cl2N — CID 146323550

IUPAC2,3-dichloro-1-methyl-5-propan-2-ylpyrrole
SMILESCC(C)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C8H11Cl2N/c1-5(2)7-4-6(9)8(10)11(7)3/h4-5H,1-3H3
InChIKeyXWSABANTQUDFPW-UHFFFAOYSA-N
MW192.09 g/mol
LogP3.46
Rot. Bonds1

About 2,3-dichloro-1-methyl-5-propan-2-ylpyrrole

2,3-dichloro-1-methyl-5-propan-2-ylpyrrole (PubChem CID 146323550) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is 2,3-dichloro-1-methyl-5-propan-2-ylpyrrole.

Molecular Properties

Compound Name2,3-dichloro-1-methyl-5-propan-2-ylpyrrole
PubChem CID146323550
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC Name2,3-dichloro-1-methyl-5-propan-2-ylpyrrole
SMILESCC(C)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C8H11Cl2N/c1-5(2)7-4-6(9)8(10)11(7)3/h4-5H,1-3H3
InChIKeyXWSABANTQUDFPW-UHFFFAOYSA-N
XLogP3.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-methyl-5-propan-2-ylpyrrole?
The IUPAC name of 2,3-dichloro-1-methyl-5-propan-2-ylpyrrole (CID 146323550) is 2,3-dichloro-1-methyl-5-propan-2-ylpyrrole.
What is the SMILES notation for 2,3-dichloro-1-methyl-5-propan-2-ylpyrrole?
The canonical SMILES for 2,3-dichloro-1-methyl-5-propan-2-ylpyrrole is CC(C)c1cc(Cl)c(Cl)n1C.
What is the InChIKey of 2,3-dichloro-1-methyl-5-propan-2-ylpyrrole?
The InChIKey is XWSABANTQUDFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N/c1-5(2)7-4-6(9)8(10)11(7)3/h4-5H,1-3H3.
What are the key properties of 2,3-dichloro-1-methyl-5-propan-2-ylpyrrole?
2,3-dichloro-1-methyl-5-propan-2-ylpyrrole has a molecular weight of 192.09 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-methyl-5-propan-2-ylpyrrole is sourced from PubChem (CID 146323550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).